 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_B3LYPDBJ_augccpVDZ.in
 Output=31_naproxen_conformer02_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-22252.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22281.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0646304060 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.3435278576 Hartrees.
 Leave Link  301 at Tue Aug 17 18:13:01 2021, MaxMem=  5368709120 cpu:              17.2 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.49D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.42D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 18:13:03 2021, MaxMem=  5368709120 cpu:               9.2 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 18:13:03 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 18:13:05 2021, MaxMem=  5368709120 cpu:              10.4 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.762844980228    
 DIIS: error= 1.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.762844980228     IErMin= 1 ErrMin= 1.78D-03
 ErrMax= 1.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.67D-03 BMatP= 7.67D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.169 Goal=   None    Shift=    0.000
 GapD=    0.169 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.04D-02 MaxDP=1.02D+01              OVMax= 1.43D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.62D-02    CP:  1.76D+00
 E= -767.769127251610     Delta-E=       -0.006282271382 Rises=F Damp=F
 DIIS: error= 3.29D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.769127251610     IErMin= 2 ErrMin= 3.29D-04
 ErrMax= 3.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-04 BMatP= 7.67D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.29D-03
 Coeff-Com:  0.292D-01 0.971D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.291D-01 0.971D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.83D-03 MaxDP=3.63D-01 DE=-6.28D-03 OVMax= 5.42D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.98D-04    CP:  1.78D+00  1.04D+00
 E= -767.768847763332     Delta-E=        0.000279488278 Rises=F Damp=F
 DIIS: error= 5.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -767.769127251610     IErMin= 2 ErrMin= 3.29D-04
 ErrMax= 5.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-04 BMatP= 2.30D-04
 IDIUse=3 WtCom= 3.05D-01 WtEn= 6.95D-01
 Coeff-Com: -0.917D-02 0.627D+00 0.382D+00
 Coeff-En:   0.000D+00 0.690D+00 0.310D+00
 Coeff:     -0.280D-02 0.671D+00 0.332D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.22D-04 MaxDP=1.35D-02 DE= 2.79D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.42D-04    CP:  1.79D+00  1.04D+00  9.40D-01
 E= -767.769300661968     Delta-E=       -0.000452898635 Rises=F Damp=F
 DIIS: error= 4.90D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.769300661968     IErMin= 4 ErrMin= 4.90D-05
 ErrMax= 4.90D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.20D-06 BMatP= 2.30D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.602D-02 0.304D+00 0.139D+00 0.563D+00
 Coeff:     -0.602D-02 0.304D+00 0.139D+00 0.563D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=9.39D-05 MaxDP=6.72D-03 DE=-4.53D-04 OVMax= 7.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.57D-05    CP:  1.79D+00  1.04D+00  9.31D-01  1.18D+00
 E= -767.769307261485     Delta-E=       -0.000006599518 Rises=F Damp=F
 DIIS: error= 2.58D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.769307261485     IErMin= 5 ErrMin= 2.58D-05
 ErrMax= 2.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-06 BMatP= 9.20D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.211D-02 0.668D-01 0.155D-01 0.361D+00 0.559D+00
 Coeff:     -0.211D-02 0.668D-01 0.155D-01 0.361D+00 0.559D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.69D-05 MaxDP=2.67D-03 DE=-6.60D-06 OVMax= 3.78D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.47D-05    CP:  1.79D+00  1.04D+00  9.33D-01  1.21D+00  9.97D-01
 E= -767.769308579417     Delta-E=       -0.000001317931 Rises=F Damp=F
 DIIS: error= 7.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.769308579417     IErMin= 6 ErrMin= 7.21D-06
 ErrMax= 7.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-07 BMatP= 1.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.628D-03 0.104D-01-0.304D-02 0.158D+00 0.322D+00 0.513D+00
 Coeff:     -0.628D-03 0.104D-01-0.304D-02 0.158D+00 0.322D+00 0.513D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=6.20D-06 MaxDP=3.96D-04 DE=-1.32D-06 OVMax= 9.17D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.66D-06    CP:  1.79D+00  1.04D+00  9.37D-01  1.21D+00  9.55D-01
                    CP:  9.35D-01
 E= -767.769308715733     Delta-E=       -0.000000136316 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.769308715733     IErMin= 7 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-09 BMatP= 1.52D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-03-0.930D-03-0.263D-02 0.459D-01 0.106D+00 0.247D+00
 Coeff-Com:  0.604D+00
 Coeff:     -0.109D-03-0.930D-03-0.263D-02 0.459D-01 0.106D+00 0.247D+00
 Coeff:      0.604D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.06D-06 MaxDP=1.39D-04 DE=-1.36D-07 OVMax= 4.27D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.39D-06    CP:  1.79D+00  1.04D+00  9.38D-01  1.21D+00  9.62D-01
                    CP:  9.07D-01  8.72D-01
 E= -767.769308720974     Delta-E=       -0.000000005242 Rises=F Damp=F
 DIIS: error= 1.13D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.769308720974     IErMin= 8 ErrMin= 1.13D-06
 ErrMax= 1.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-09 BMatP= 8.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-05-0.168D-02-0.121D-02 0.108D-01 0.293D-01 0.977D-01
 Coeff-Com:  0.393D+00 0.473D+00
 Coeff:     -0.285D-05-0.168D-02-0.121D-02 0.108D-01 0.293D-01 0.977D-01
 Coeff:      0.393D+00 0.473D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=6.63D-07 MaxDP=3.10D-05 DE=-5.24D-09 OVMax= 2.02D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.71D-07    CP:  1.79D+00  1.04D+00  9.39D-01  1.21D+00  9.60D-01
                    CP:  9.14D-01  8.66D-01  8.98D-01
 E= -767.769308723224     Delta-E=       -0.000000002249 Rises=F Damp=F
 DIIS: error= 2.52D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.769308723224     IErMin= 9 ErrMin= 2.52D-07
 ErrMax= 2.52D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-10 BMatP= 2.39D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.692D-05-0.720D-03-0.345D-03 0.150D-02 0.542D-02 0.275D-01
 Coeff-Com:  0.141D+00 0.242D+00 0.584D+00
 Coeff:      0.692D-05-0.720D-03-0.345D-03 0.150D-02 0.542D-02 0.275D-01
 Coeff:      0.141D+00 0.242D+00 0.584D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.46D-07 MaxDP=1.91D-05 DE=-2.25D-09 OVMax= 4.75D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.96D-07    CP:  1.79D+00  1.04D+00  9.39D-01  1.21D+00  9.61D-01
                    CP:  9.14D-01  8.78D-01  8.88D-01  8.62D-01
 E= -767.769308723387     Delta-E=       -0.000000000163 Rises=F Damp=F
 DIIS: error= 9.78D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.769308723387     IErMin=10 ErrMin= 9.78D-08
 ErrMax= 9.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-11 BMatP= 1.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.479D-05-0.235D-03-0.595D-04-0.359D-03-0.142D-03 0.522D-02
 Coeff-Com:  0.376D-01 0.879D-01 0.338D+00 0.532D+00
 Coeff:      0.479D-05-0.235D-03-0.595D-04-0.359D-03-0.142D-03 0.522D-02
 Coeff:      0.376D-01 0.879D-01 0.338D+00 0.532D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=1.04D-07 MaxDP=6.88D-06 DE=-1.63D-10 OVMax= 1.47D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.19D-08    CP:  1.79D+00  1.04D+00  9.39D-01  1.21D+00  9.61D-01
                    CP:  9.15D-01  8.73D-01  9.00D-01  9.06D-01  8.30D-01
 E= -767.769308723263     Delta-E=        0.000000000124 Rises=F Damp=F
 DIIS: error= 1.83D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -767.769308723387     IErMin=11 ErrMin= 1.83D-08
 ErrMax= 1.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.88D-13 BMatP= 1.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.181D-05-0.661D-04-0.560D-05-0.252D-03-0.376D-03 0.805D-03
 Coeff-Com:  0.854D-02 0.260D-01 0.114D+00 0.238D+00 0.613D+00
 Coeff:      0.181D-05-0.661D-04-0.560D-05-0.252D-03-0.376D-03 0.805D-03
 Coeff:      0.854D-02 0.260D-01 0.114D+00 0.238D+00 0.613D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=2.05D-08 MaxDP=1.22D-06 DE= 1.24D-10 OVMax= 3.20D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.45D-08    CP:  1.79D+00  1.04D+00  9.39D-01  1.21D+00  9.61D-01
                    CP:  9.15D-01  8.74D-01  9.04D-01  9.07D-01  8.50D-01
                    CP:  8.80D-01
 E= -767.769308723408     Delta-E=       -0.000000000145 Rises=F Damp=F
 DIIS: error= 6.54D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.769308723408     IErMin=12 ErrMin= 6.54D-09
 ErrMax= 6.54D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-13 BMatP= 6.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-06-0.335D-05 0.629D-05-0.970D-04-0.210D-03-0.316D-03
 Coeff-Com: -0.687D-03 0.251D-02 0.171D-01 0.622D-01 0.351D+00 0.568D+00
 Coeff:      0.313D-06-0.335D-05 0.629D-05-0.970D-04-0.210D-03-0.316D-03
 Coeff:     -0.687D-03 0.251D-02 0.171D-01 0.622D-01 0.351D+00 0.568D+00
 Gap=     0.169 Goal=   None    Shift=    0.000
 RMSDP=7.23D-09 MaxDP=4.29D-07 DE=-1.45D-10 OVMax= 2.04D-07

 SCF Done:  E(RB3LYP) =  -767.769308723     A.U. after   12 cycles
            NFock= 12  Conv=0.72D-08     -V/T= 2.0057
 KE= 7.634287223560D+02 PE=-4.060560154919D+03 EE= 1.393018595982D+03
 Leave Link  502 at Tue Aug 17 18:26:07 2021, MaxMem=  5368709120 cpu:            6249.7 elap:             781.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.11492401D+03

 Leave Link  801 at Tue Aug 17 18:26:07 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 6.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 5.04D-01 1.91D-01.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 9.87D-02 8.85D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 1.58D-02 2.83D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 5.25D-03 2.36D-02.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 4.32D-04 4.78D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.91D-05 5.35D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 1.04D-06 1.52D-04.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.56D-08 2.68D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 7.63D-10 3.31D-06.
      9 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 1.02D-11 4.57D-07.
      7 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 2.66D-13 7.04D-08.
      2 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 7.34D-14 1.82D-08.
      2 vectors produced by pass 13 Test12= 4.60D-13 8.33D-09 XBig12= 2.62D-14 1.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.14D-13
 Solved reduced A of dimension   130 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.313583D+03
      2  0.904328D+01  0.179074D+03
      3  0.161394D+02  0.888623D+01  0.122510D+03
 Isotropic polarizability for W=    0.088559      205.06 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.295173D+03 -0.581070D+02  0.717111D+02
      2  -0.124067D+03  0.590969D+02 -0.198581D+02
      3  -0.171107D+03 -0.989893D+00 -0.518530D+02
      4  -0.564948D+02  0.132393D+03  0.527263D+02
      5   0.213956D+01  0.559625D+02 -0.391872D+02
      6   0.212035D+02 -0.547818D+02 -0.323041D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.208319D+01 -0.310630D+02 -0.734446D+00
      2   0.704549D+02  0.213624D+02 -0.159042D+02
      3   0.476001D+02 -0.605146D+02 -0.176064D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.323619D+01 -0.349237D+02  0.224052D+01
      2   0.695716D+02  0.315228D+02  0.131919D+03
      3   0.161218D+01 -0.256460D+03 -0.347590D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.268706D+01 -0.551699D+01 -0.112348D+02
      2  -0.551699D+01  0.119097D+00  0.353714D+01
      3  -0.112348D+02  0.353714D+01  0.303306D+01
 OR G Eigenvalues:    -8.6761    -2.0738    16.5891  Iso=    -1.9464
 Eigenvectors:
   (1)   0.736463   0.202365   0.645500
   (2)   0.103202   0.909428  -0.402852
   (3)   0.668559  -0.363303  -0.648876
 w=    0.088559 a.u., Optical Rotation Beta=     -1.9464 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -428.63 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.30D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.56D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 4.98D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 1.13D-01 1.34D-01.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 3.14D-03 1.50D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.05D-04 1.23D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 2.23D-06 1.73D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 2.45D-08 1.44D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 1.66D-10 1.20D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 9.97D-13 1.02D-07.
     10 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 1.64D-14 1.17D-08.
      5 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 3.98D-15 5.04D-09.
      3 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 5.00D-15 6.88D-09.
      3 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 9.81D-14 1.99D-08.
      3 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 1.74D-13 2.08D-08.
      3 vectors produced by pass 13 Test12= 7.66D-14 2.78D-09 XBig12= 1.20D-13 2.39D-08.
      2 vectors produced by pass 14 Test12= 7.66D-14 2.78D-09 XBig12= 1.11D-14 6.78D-09.
      1 vectors produced by pass 15 Test12= 7.66D-14 2.78D-09 XBig12= 1.79D-15 3.10D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.77D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.77D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.22D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.313583D+03  0.904328D+01  0.161394D+02
      2   0.904328D+01  0.179074D+03  0.888623D+01
      3   0.161394D+02  0.888623D+01  0.122510D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208319D+01 -0.310630D+02 -0.734446D+00
      2   0.704549D+02  0.213624D+02 -0.159042D+02
      3   0.476001D+02 -0.605146D+02 -0.176064D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.295173D+03 -0.581070D+02  0.717111D+02
      2  -0.124067D+03  0.590969D+02 -0.198581D+02
      3  -0.171107D+03 -0.989893D+00 -0.518530D+02
      4  -0.564948D+02  0.132393D+03  0.527263D+02
      5   0.213956D+01  0.559625D+02 -0.391872D+02
      6   0.212035D+02 -0.547818D+02 -0.323041D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378312D+02 -0.333672D+01 -0.300471D+01  0.418198D+02  0.879040D+01
      2  -0.333672D+01 -0.103604D+01 -0.879317D+00  0.879040D+01  0.896918D+01
      3  -0.300471D+01 -0.879317D+00 -0.287630D-03  0.577421D+01  0.237763D+01
                 6             7             8             9            10 
      1   0.577421D+01  0.403140D+01  0.124328D+01 -0.421670D+00  0.421511D+02
      2   0.237763D+01  0.124328D+01  0.104060D+01  0.154953D+01  0.488369D+01
      3   0.237580D+00 -0.421670D+00  0.154953D+01  0.459850D+00  0.373890D+01
                11            12            13            14            15 
      1   0.488369D+01  0.373890D+01 -0.415842D+02 -0.783932D+01 -0.577742D+01
      2   0.428902D+01  0.109330D+01 -0.783932D+01 -0.764626D+01 -0.244121D+01
      3   0.109330D+01 -0.113444D+00 -0.577742D+01 -0.244121D+01 -0.257717D+00
                16            17            18            19            20 
      1  -0.202905D+01 -0.757292D+00  0.722698D+00  0.430775D+02  0.552200D+01
      2  -0.757292D+00 -0.340974D+00 -0.141074D+01  0.552200D+01  0.399519D+01
      3   0.722698D+00 -0.141074D+01 -0.453343D+00  0.309419D+01  0.844391D+00
                21            22            23            24            25 
      1   0.309419D+01  0.257173D+02  0.263775D+01  0.646068D+00  0.109808D+02
      2   0.844391D+00  0.263775D+01  0.441306D+01  0.195443D+00  0.282632D+00
      3   0.357868D+00  0.646068D+00  0.195443D+00  0.232503D+01 -0.125597D+01
                26            27            28            29            30 
      1   0.282632D+00 -0.125597D+01 -0.567012D+02 -0.531689D+01 -0.697785D+00
      2   0.128926D-01  0.337574D+01 -0.531689D+01 -0.325235D+01 -0.343163D+00
      3   0.337574D+01  0.100405D+01 -0.697785D+00 -0.343163D+00 -0.221093D+01
                31            32            33            34            35 
      1  -0.120588D+02 -0.102648D+01  0.628104D+00 -0.657440D+01  0.253438D+00
      2  -0.102648D+01 -0.826041D+01 -0.216279D+01  0.253438D+00 -0.224062D+01
      3   0.628104D+00 -0.216279D+01 -0.594512D+00 -0.614722D+01 -0.117875D+01
                36            37            38            39            40 
      1  -0.614722D+01 -0.496270D+01 -0.714152D+00 -0.587685D+00 -0.111754D+02
      2  -0.117875D+01 -0.714152D+00 -0.998635D+01 -0.175591D+01 -0.174967D+01
      3  -0.166268D+01 -0.587685D+00 -0.175591D+01 -0.264226D+01  0.511401D+00
                41            42            43            44            45 
      1  -0.174967D+01  0.511401D+00 -0.215961D+01  0.117421D+01 -0.429340D+01
      2   0.257752D+01  0.133625D+01  0.117421D+01 -0.167441D-01 -0.265134D+01
      3   0.133625D+01 -0.715842D+00 -0.429340D+01 -0.265134D+01 -0.323123D+01
                46            47            48            49            50 
      1   0.873361D+01  0.219215D+01  0.195047D+01 -0.223125D+01 -0.187733D+01
      2   0.219215D+01  0.709361D+01  0.252253D+01 -0.187733D+01 -0.510885D+00
      3   0.195047D+01  0.252253D+01  0.300669D+01 -0.385711D+00  0.857391D+00
                51            52            53            54            55 
      1  -0.385711D+00  0.431822D+00  0.302324D+00  0.140095D+01 -0.122026D+02
      2   0.857391D+00  0.302324D+00  0.230694D+01 -0.354418D+01 -0.502354D+01
      3  -0.130358D+01  0.140095D+01 -0.354418D+01 -0.137842D+01 -0.218224D+01
                56            57            58            59            60 
      1  -0.502354D+01 -0.218224D+01 -0.372054D+00  0.105426D+01 -0.107253D+00
      2  -0.103393D+02 -0.216262D+01  0.105426D+01 -0.291031D-01 -0.897088D+00
      3  -0.216262D+01 -0.297370D+01 -0.107253D+00 -0.897088D+00  0.145894D+01
                61            62            63            64            65 
      1  -0.146425D+01 -0.666378D+00 -0.154520D+01 -0.178540D+01  0.232827D+01
      2  -0.666378D+00 -0.276672D+01  0.355951D+01  0.232827D+01 -0.135276D+01
      3  -0.154520D+01  0.355951D+01  0.731541D+00 -0.109849D+00  0.151955D+00
                66            67            68            69            70 
      1  -0.109849D+00  0.323881D+01 -0.322541D+01 -0.100522D+00 -0.457554D+00
      2   0.151955D+00 -0.322541D+01  0.608708D+01  0.249813D+00 -0.129925D+00
      3  -0.974597D-01 -0.100522D+00  0.249813D+00  0.590421D+00  0.111273D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.111273D+00 -0.510221D+01 -0.314480D+01 -0.120742D+01
      2   0.743448D+00  0.180051D+00 -0.314480D+01 -0.313065D+01 -0.947369D+00
      3   0.180051D+00  0.463104D-01 -0.120742D+01 -0.947369D+00 -0.655915D+00
                76            77            78            79            80 
      1  -0.364023D+01 -0.432498D+01 -0.128520D+01 -0.148779D+01 -0.125118D+01
      2  -0.432498D+01 -0.622401D+01 -0.162290D+01 -0.125118D+01 -0.138108D+01
      3  -0.128520D+01 -0.162290D+01 -0.110790D+01  0.641160D-01 -0.660133D+00
                81            82            83            84            85 
      1   0.641160D-01  0.126100D+01 -0.184177D+01 -0.229986D+00 -0.901470D+00
      2  -0.660133D+00 -0.184177D+01  0.287925D+01  0.353545D+00  0.212676D+01
      3  -0.263002D+00 -0.229986D+00  0.353545D+00  0.234512D+00  0.433069D+00
                86            87            88            89            90 
      1   0.212676D+01  0.433069D+00 -0.157398D+00  0.100838D+00 -0.910150D-02
      2  -0.976816D+01 -0.153483D+01  0.100838D+00 -0.144752D+01 -0.416869D+00
      3  -0.153483D+01 -0.101557D+01 -0.910150D-02 -0.416869D+00 -0.217994D+00
                91            92            93            94            95 
      1   0.279690D+02  0.381495D+01 -0.199237D+01  0.294476D+01  0.305550D+01
      2   0.381495D+01  0.193146D+01 -0.841939D+00  0.305550D+01 -0.122912D+01
      3  -0.199237D+01 -0.841939D+00  0.310381D+01 -0.203604D+00  0.319490D+01
                96            97            98            99           100 
      1  -0.203604D+00 -0.105633D+02 -0.183689D+01  0.637430D+01  0.719097D+01
      2   0.319490D+01 -0.183689D+01  0.171725D+01  0.247442D+01 -0.644791D+00
      3   0.114062D+01  0.637430D+01  0.247442D+01 -0.512243D+00  0.183934D+01
               101           102           103           104           105 
      1  -0.644791D+00  0.183934D+01  0.353818D+01 -0.259901D+01  0.121724D+01
      2  -0.233772D+01  0.145325D+01 -0.259901D+01  0.149866D+01 -0.305477D+01
      3   0.145325D+01 -0.348640D+01  0.121724D+01 -0.305477D+01 -0.175006D+01
               106           107           108           109           110 
      1   0.249482D+01  0.133277D+01 -0.205578D+01  0.348988D+01  0.214839D+01
      2   0.133277D+01 -0.205606D+01 -0.328117D+01  0.214839D+01  0.739294D+00
      3  -0.205578D+01 -0.328117D+01  0.311501D+01 -0.344753D+00 -0.404294D+00
               111           112           113           114           115 
      1  -0.344753D+00  0.208821D+01 -0.819044D+00  0.315330D+00  0.184088D+02
      2  -0.404294D+00 -0.819044D+00  0.546863D-01 -0.223158D+00  0.206198D+01
      3  -0.141441D+01  0.315330D+00 -0.223158D+00 -0.716491D+00 -0.678601D+01
               116           117           118           119           120 
      1   0.206198D+01 -0.678601D+01 -0.318490D+01 -0.164674D+01 -0.154855D+01
      2   0.115348D+01 -0.925721D+00 -0.164674D+01 -0.988114D+00 -0.432644D+00
      3  -0.925721D+00  0.478394D+00 -0.154855D+01 -0.432644D+00 -0.154990D+01
               121           122           123           124           125 
      1  -0.627288D+01 -0.198447D+01 -0.126240D+01 -0.232026D+01 -0.544893D+00
      2  -0.198447D+01 -0.257462D+01 -0.210278D+01 -0.544893D+00 -0.205366D+01
      3  -0.126240D+01 -0.210278D+01 -0.202670D+01 -0.261290D+01 -0.187562D+01
               126           127           128           129           130 
      1  -0.261290D+01  0.829818D+00  0.248048D+00 -0.111200D+01 -0.564634D+00
      2  -0.187562D+01  0.248048D+00  0.119794D+01 -0.118986D+01  0.170679D+00
      3  -0.378748D+01 -0.111200D+01 -0.118986D+01  0.255850D+01 -0.127570D+00
               131           132           133           134           135 
      1   0.170679D+00 -0.127570D+00 -0.167125D+01  0.319890D+00  0.141051D+00
      2   0.147643D+01 -0.126588D+01  0.319890D+00 -0.209461D+01  0.294497D+01
      3  -0.126588D+01  0.178837D+01  0.141051D+00  0.294497D+01 -0.720294D+01
               136           137           138           139           140 
      1  -0.103674D+00  0.360545D+00  0.439315D+00  0.128465D+01 -0.651381D+00
      2   0.360545D+00  0.647731D+00 -0.962526D-01 -0.651381D+00  0.418246D+01
      3   0.439315D+00 -0.962526D-01  0.599621D+00 -0.693857D-01  0.159190D+01
               141           142           143           144           145 
      1  -0.693857D-01  0.148721D+01 -0.941076D+00  0.109935D+00 -0.135906D+02
      2   0.159190D+01 -0.941076D+00  0.294625D+01  0.171995D+01  0.268107D+01
      3   0.176879D+01  0.109935D+00  0.171995D+01  0.193608D+01 -0.242844D+01
               146           147           148           149           150 
      1   0.268107D+01 -0.242844D+01  0.879797D+00 -0.100279D+01 -0.859519D-01
      2  -0.153583D+01  0.635120D+00 -0.100279D+01  0.188526D+00  0.410860D-01
      3   0.635120D+00 -0.148622D+01 -0.859519D-01  0.410860D-01  0.204364D-01
               151           152           153           154           155 
      1  -0.154449D+01  0.134826D+00 -0.136244D+01 -0.189295D+02 -0.383064D+01
      2   0.134826D+00  0.582310D-01  0.538368D+00 -0.383064D+01 -0.249806D+01
      3  -0.136244D+01  0.538368D+00 -0.987316D+00  0.137266D+01  0.845105D+00
               156           157           158           159           160 
      1   0.137266D+01 -0.512928D+01 -0.475756D+01  0.234588D+00  0.190564D+01
      2   0.845105D+00 -0.475756D+01 -0.293294D+01  0.538865D+00  0.582029D+00
      3  -0.270180D+01  0.234588D+00  0.538865D+00 -0.514020D+00 -0.263399D+01
               161           162           163           164           165 
      1   0.582029D+00 -0.263399D+01 -0.167843D+02 -0.201152D+01  0.544994D+01
      2  -0.326949D+00 -0.843086D+00 -0.201152D+01  0.182842D+00  0.145797D-01
      3  -0.843086D+00  0.246879D+00  0.544994D+01  0.145797D-01 -0.118329D+01
               166           167           168           169           170 
      1  -0.463204D+01 -0.690869D-01  0.896385D+00 -0.625526D+00 -0.748594D+00
      2  -0.690869D-01  0.194822D+00  0.131034D+01 -0.748594D+00  0.366596D+00
      3   0.896385D+00  0.131034D+01 -0.250292D+00 -0.681840D-01 -0.309859D+00
               171           172           173           174           175 
      1  -0.681840D-01  0.126955D+02  0.103781D+01 -0.310051D+01  0.322648D+01
      2  -0.309859D+00  0.103781D+01  0.129871D+00 -0.172581D+00 -0.404100D-01
      3   0.684708D+01 -0.310051D+01 -0.172581D+00  0.331323D+01 -0.986403D+00
               176           177           178           179           180 
      1  -0.404100D-01 -0.986403D+00 -0.780803D+01 -0.564520D+00  0.287842D+01
      2   0.140616D+00  0.677611D+00 -0.564520D+00  0.110330D+01  0.373229D+00
      3   0.677611D+00  0.992475D+00  0.287842D+01  0.373229D+00  0.278171D+00
               181           182           183           184           185 
      1   0.123656D+02  0.243269D+01  0.981886D+00  0.819762D+01  0.436991D+00
      2   0.243269D+01  0.115372D+02  0.940534D+00  0.436991D+00 -0.377349D+01
      3   0.981886D+00  0.940534D+00  0.268135D+01 -0.158451D+00 -0.121559D+01
               186           187           188           189           190 
      1  -0.158451D+00  0.159533D+01 -0.973341D+00  0.505242D+01  0.340324D+02
      2  -0.121559D+01 -0.973341D+00 -0.534971D+00  0.327410D+01  0.247069D+01
      3   0.114848D+01  0.505242D+01  0.327410D+01  0.293794D+01  0.247706D+01
               191           192           193           194           195 
      1   0.247069D+01  0.247706D+01  0.179352D+02  0.730198D+00  0.390261D+00
      2   0.664670D+01  0.642450D+00  0.730198D+00  0.125458D+02  0.141478D+01
      3   0.642450D+00  0.431175D+01  0.390261D+00  0.141478D+01  0.677202D+00
               196           197           198           199           200 
      1   0.555179D+01 -0.946828D+00  0.730132D+01 -0.396444D+02 -0.525357D+01
      2  -0.946828D+00  0.276126D+01  0.104239D+01 -0.525357D+01 -0.732378D+01
      3   0.730132D+01  0.104239D+01  0.228667D+01 -0.421771D+01 -0.946833D+00
               201           202           203           204           205 
      1  -0.421771D+01 -0.211074D+02 -0.254486D+00 -0.187574D+01 -0.876196D+01
      2  -0.946833D+00 -0.254486D+00 -0.588320D+01  0.254517D+00 -0.310633D+00
      3  -0.379991D+00 -0.187574D+01  0.254517D+00 -0.289520D+01 -0.287705D+00
               206           207           208           209           210 
      1  -0.310633D+00 -0.287705D+00 -0.396598D+01  0.100892D+01 -0.480610D+00
      2  -0.668773D+00 -0.362905D+01  0.100892D+01 -0.300586D+01 -0.446754D+00
      3  -0.362905D+01 -0.168167D+01 -0.480610D+00 -0.446754D+00 -0.908576D+00
               211           212           213           214           215 
      1  -0.539926D+00  0.217700D+01  0.619264D+00 -0.595130D+00  0.419389D+00
      2   0.217700D+01  0.169331D+01  0.727386D+00  0.419389D+00 -0.219226D+00
      3   0.619264D+00  0.727386D+00 -0.113459D+01  0.258271D+00  0.475144D+00
               216           217           218           219           220 
      1   0.258271D+00 -0.127681D+01 -0.221949D+01 -0.609026D+00 -0.201592D+01
      2   0.475144D+00 -0.221949D+01  0.333762D+01 -0.519430D+00 -0.820594D+00
      3  -0.732682D-01 -0.609026D+00 -0.519430D+00  0.162396D+01 -0.100181D+01
               221           222           223           224           225 
      1  -0.820594D+00 -0.100181D+01 -0.736776D-01 -0.688127D+00 -0.205027D+01
      2  -0.557687D+00 -0.205837D+01 -0.688127D+00 -0.126204D+01  0.393227D+01
      3  -0.205837D+01  0.560641D+01 -0.205027D+01  0.393227D+01  0.250549D+01
               226           227           228           229           230 
      1  -0.852340D+00  0.154608D+01  0.145720D+00  0.391365D+00 -0.148381D+01
      2   0.154608D+01 -0.298159D+01 -0.293998D+00 -0.148381D+01  0.982437D+01
      3   0.145720D+00 -0.293998D+00 -0.216608D+00 -0.319460D+00  0.126042D+01
               231           232           233           234           235 
      1  -0.319460D+00 -0.541698D-01 -0.152305D+00  0.168603D+00  0.604932D+01
      2   0.126042D+01 -0.152305D+00  0.130497D+01  0.387277D+00  0.425992D+01
      3   0.926024D+00  0.168603D+00  0.387277D+00  0.230020D+00  0.140362D+01
               236           237           238           239           240 
      1   0.425992D+01  0.140362D+01  0.485587D+01  0.518531D+01  0.141123D+01
      2   0.390842D+01  0.104028D+01  0.518531D+01  0.673642D+01  0.158751D+01
      3   0.104028D+01  0.825553D+00  0.141123D+01  0.158751D+01  0.112004D+01
               241           242           243           244           245 
      1   0.174038D+01  0.148916D+01  0.364485D-01  0.227854D+01 -0.234788D+01
      2   0.148916D+01  0.161091D+01  0.591264D+00 -0.234788D+01  0.145593D+01
      3   0.364485D-01  0.591264D+00  0.265640D+00 -0.184298D+00 -0.104937D-01
               246           247           248           249           250 
      1  -0.184298D+00 -0.368946D+01  0.334799D+01  0.303035D+00 -0.409816D+00
      2  -0.104937D-01  0.334799D+01 -0.597181D+01 -0.674035D+00  0.307207D+00
      3   0.833565D-01  0.303035D+00 -0.674035D+00 -0.563858D+00 -0.718651D-02
               251           252           253           254           255 
      1   0.307207D+00 -0.718651D-02  0.163677D+02 -0.485798D+00  0.149628D+01
      2  -0.935367D+00 -0.214084D-01 -0.485798D+00  0.866405D+00 -0.477703D-01
      3  -0.214084D-01 -0.777346D-01  0.149628D+01 -0.477703D-01  0.122174D+01
               256           257           258           259           260 
      1   0.215418D+01  0.113168D+01  0.181516D+00  0.203369D+01 -0.813235D-01
      2   0.113168D+01  0.377495D+00  0.273296D+00 -0.813235D-01  0.306463D+00
      3   0.181516D+00  0.273296D+00  0.407577D-01  0.174172D+01 -0.350442D+00
               261           262           263           264           265 
      1   0.174172D+01 -0.170844D+00  0.327978D+00 -0.765496D+00 -0.804415D+00
      2  -0.350442D+00  0.327978D+00 -0.171999D+00  0.225381D+00  0.155051D+01
      3   0.374443D+00 -0.765496D+00  0.225381D+00 -0.578201D+00  0.123844D+01
               266           267           268           269           270 
      1   0.155051D+01  0.123844D+01 -0.482903D+01  0.219254D+01  0.328298D+01
      2  -0.165209D+01 -0.143880D+01  0.219254D+01 -0.178504D+01 -0.239888D+01
      3  -0.143880D+01 -0.213640D+01  0.328298D+01 -0.239888D+01 -0.597411D+01
               271           272           273           274           275 
      1  -0.140328D+01  0.555117D+00  0.414062D+00 -0.155284D+01  0.213081D+01
      2   0.555117D+00 -0.898106D+00  0.728812D+00  0.213081D+01 -0.394664D+01
      3   0.414062D+00  0.728812D+00 -0.132256D+01 -0.105326D+01  0.280308D+01
               276           277           278           279 
      1  -0.105326D+01  0.292505D+01 -0.160321D+01  0.189254D+01
      2   0.280308D+01 -0.160321D+01  0.269777D+01 -0.292097D+01
      3  -0.285885D+01  0.189254D+01 -0.292097D+01  0.375986D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.359520D+01 -0.370105D+01  0.620911D+00 -0.751757D+01 -0.658246D+01
      2  -0.108786D+02 -0.406008D+01 -0.116109D+01  0.112904D+02  0.114589D+00
      3  -0.277700D+02  0.239254D+02  0.131172D+01  0.399320D+02  0.201897D+02
                 6             7             8             9            10 
      1  -0.168590D+01  0.391686D+01  0.574229D+01  0.118860D+01 -0.175281D+01
      2  -0.946656D+00 -0.185344D+02 -0.358083D+01 -0.305209D+01  0.227212D+02
      3   0.617245D+01  0.260347D+01  0.746024D+01 -0.184967D+00  0.445994D+01
                11            12            13            14            15 
      1  -0.590370D+01 -0.983678D+00 -0.603429D+01 -0.226290D+01  0.429170D+00
      2  -0.531921D+00 -0.498685D+01 -0.182160D+02 -0.526186D+01 -0.234966D+01
      3   0.279240D+02  0.356617D+01  0.504235D+02  0.248801D+02  0.943152D+01
                16            17            18            19            20 
      1   0.419866D+01  0.688041D+01  0.223574D+01 -0.472829D+01  0.107254D+01
      2  -0.241223D+02 -0.389129D+01 -0.361271D+01  0.190739D+02  0.707513D+01
      3   0.629074D+01  0.856745D+01  0.288563D+01  0.302177D+02 -0.200990D+02
                21            22            23            24            25 
      1  -0.571621D+00 -0.993524D+00 -0.353734D+01 -0.315257D+01  0.806174D+01
      2   0.957802D+00  0.170993D+02  0.280497D+01 -0.123667D+01 -0.137336D+02
      3   0.578630D-01  0.116628D+02  0.290508D+01  0.739593D+00 -0.116060D+01
                26            27            28            29            30 
      1   0.264598D+01 -0.238013D+01 -0.778360D+00 -0.139551D+01 -0.158506D+00
      2  -0.643192D+01 -0.308724D+01 -0.344485D+02 -0.551132D+01  0.730896D+00
      3  -0.409959D+01  0.163986D+01 -0.667087D+01  0.896312D+01  0.152342D+01
                31            32            33            34            35 
      1  -0.682822D+01  0.290860D+01  0.374460D+01 -0.204995D+01  0.152638D+02
      2  -0.780441D+01  0.144833D+01  0.557573D+00 -0.182687D+02 -0.932255D+00
      3   0.248429D+02 -0.577030D+01 -0.528458D+01  0.196222D+01 -0.473803D-01
                36            37            38            39            40 
      1   0.396425D+01 -0.141094D+01  0.596180D+01 -0.431092D+01  0.437275D+01
      2  -0.671511D+00 -0.318733D+00  0.206012D+00  0.209402D+01 -0.628067D+01
      3  -0.203440D+01  0.227214D+02 -0.607511D+01 -0.174657D+01  0.140873D+01
                41            42            43            44            45 
      1  -0.387609D+01 -0.257941D+01 -0.158603D+02  0.473681D+01 -0.123351D+01
      2  -0.485687D+01  0.110640D+01 -0.114720D+02  0.730794D+01 -0.329255D+00
      3   0.105295D+02  0.450593D+01 -0.130443D+00  0.260990D+01  0.567122D+01
                46            47            48            49            50 
      1   0.275438D+01 -0.129268D+01  0.491006D+01  0.164389D+01  0.442719D+01
      2   0.655224D+01  0.255921D+01  0.228861D+01  0.247539D+01  0.261425D+01
      3  -0.377105D+02 -0.227925D+02 -0.498108D+01 -0.122951D+02 -0.227708D+02
                51            52            53            54            55 
      1  -0.298583D+01  0.106249D+02 -0.243147D+01  0.293374D+01  0.242600D+01
      2   0.136384D+01 -0.168452D+02  0.721111D+00  0.158639D+00  0.554928D+01
      3  -0.453079D+01 -0.866489D+01 -0.587220D+01 -0.759672D+01 -0.246717D+02
                56            57            58            59            60 
      1   0.380600D+01  0.752049D+01 -0.127303D+01  0.406302D+01 -0.297042D+01
      2   0.107647D+00 -0.586522D+01  0.471388D+01  0.282728D+01  0.394005D+01
      3  -0.111029D+02 -0.283635D+01 -0.104388D+01 -0.228472D+02 -0.110556D+01
                61            62            63            64            65 
      1   0.929247D+01 -0.191347D+01  0.159307D+01 -0.222649D+00 -0.723343D+00
      2  -0.221129D+02  0.489286D+01  0.118150D+00  0.770835D+00  0.190279D+00
      3  -0.459052D+01 -0.273326D+01 -0.136624D+02 -0.227823D+01  0.180830D+01
                66            67            68            69            70 
      1   0.833032D+00  0.332555D+00 -0.146485D+01 -0.338755D+01  0.171289D+00
      2   0.349175D-01  0.748672D+00 -0.987807D+00 -0.155555D+01 -0.277022D+01
      3  -0.130863D+00  0.579055D+01  0.364921D+01  0.812093D+00 -0.316062D-01
                71            72            73            74            75 
      1   0.171684D+01  0.100572D+00  0.331537D+00  0.125487D+01 -0.189153D+01
      2   0.791913D+00 -0.375456D-01 -0.354046D+01 -0.131482D+01  0.109630D+01
      3   0.885782D+00 -0.682041D+00  0.755753D+01  0.566819D-01  0.773644D+00
                76            77            78            79            80 
      1   0.132965D+01  0.263674D+01 -0.269098D+01  0.317853D+01  0.210247D+01
      2  -0.176367D+01 -0.130627D+01  0.197490D+01 -0.306364D+01 -0.401269D+00
      3   0.166463D+01 -0.240163D+01  0.202286D-01  0.154257D+01 -0.398637D+00
                81            82            83            84            85 
      1   0.223895D+00  0.139137D+01 -0.178864D+01  0.129544D+01 -0.608062D+00
      2   0.724268D+00  0.142871D+01 -0.127916D+01  0.802091D+00 -0.113739D+01
      3  -0.998217D+00 -0.602143D+01  0.283629D+01  0.168185D+00  0.539615D+01
                86            87            88            89            90 
      1   0.397695D+01 -0.375330D+01 -0.118474D+01  0.269947D+01 -0.368329D+00
      2   0.200200D+01 -0.908765D+00 -0.565313D+00 -0.808261D+00 -0.420173D+00
      3  -0.384613D+01 -0.111019D+01 -0.410642D+00 -0.896958D+00  0.885084D+00
                91            92            93            94            95 
      1  -0.665228D+00 -0.155361D+01  0.464910D+00  0.212949D+01  0.506426D+00
      2   0.263488D+02  0.483553D+01 -0.104015D+02  0.296680D+01 -0.747213D+01
      3   0.563357D+01 -0.144679D+01 -0.161359D+01  0.197144D+02 -0.699625D+01
                96            97            98            99           100 
      1  -0.316872D+01  0.420026D+00  0.361106D+01 -0.416772D+01 -0.173266D+01
      2  -0.352915D+01 -0.445966D+02 -0.997097D+01  0.526811D+01  0.197971D+01
      3   0.125048D+02 -0.244055D+01  0.123776D+02  0.921635D+01  0.152392D+02
               101           102           103           104           105 
      1   0.316718D+01  0.258161D+01  0.710769D+00  0.341404D+01  0.640343D+01
      2  -0.541587D+01  0.170262D+02 -0.175724D+01  0.810088D+01  0.830612D+01
      3  -0.172108D+02  0.900948D+01 -0.103951D+02 -0.478594D+00 -0.128998D+02
               106           107           108           109           110 
      1  -0.124647D+01  0.105333D+02  0.668811D-02  0.697742D+01  0.198323D+01
      2   0.764446D+01  0.134352D+02 -0.133512D+02 -0.231237D+02 -0.437173D+01
      3   0.706758D+01 -0.843641D+01 -0.177088D+02 -0.185605D+01  0.150637D+02
               111           112           113           114           115 
      1   0.546769D+01  0.139862D+02  0.566171D+01 -0.166632D+02  0.367589D+01
      2   0.342540D+01 -0.993291D+00 -0.730089D+00 -0.395178D+01  0.287499D+02
      3   0.988261D+00  0.127759D+02  0.116145D+02 -0.270739D+01  0.532918D+01
               116           117           118           119           120 
      1  -0.392302D+01 -0.262216D+01  0.533811D+00  0.123797D+01  0.263607D+00
      2   0.132558D+01 -0.130274D+01  0.408530D+01  0.724308D+00  0.582143D+01
      3  -0.400841D+01 -0.318023D+01 -0.762774D+01 -0.595528D+01 -0.183628D+01
               121           122           123           124           125 
      1   0.732048D-01  0.217904D+01  0.331308D+00 -0.463470D-01  0.280805D+01
      2  -0.683891D+00  0.541879D+01  0.653956D+01  0.614184D+01  0.562500D+01
      3  -0.300321D+01 -0.892401D+01 -0.747175D+01 -0.174690D+01 -0.876109D+01
               126           127           128           129           130 
      1   0.876411D+00  0.791299D+00 -0.152708D+01 -0.222199D+01 -0.936971D-01
      2   0.102603D+02  0.737632D+01  0.381219D+01 -0.950765D+01  0.395761D+00
      3  -0.736706D+01  0.365287D+01  0.557382D+01 -0.660835D+01  0.314518D+01
               131           132           133           134           135 
      1  -0.486163D+00 -0.247967D+01 -0.147578D+01  0.132678D+01  0.626050D+01
      2   0.468457D+01 -0.672222D+01 -0.552368D+01 -0.987025D+01  0.252191D+02
      3   0.606625D+01 -0.564315D+01 -0.291222D+01 -0.759184D+01  0.135876D+02
               136           137           138           139           140 
      1  -0.167861D+01 -0.858914D+00 -0.149703D+01  0.623790D-01 -0.751724D+01
      2  -0.260635D+01  0.836985D+00 -0.168712D+01  0.820824D+00 -0.646466D+01
      3   0.453249D+01  0.368804D+01  0.121302D+01  0.245849D+01  0.172926D+02
               141           142           143           144           145 
      1  -0.731497D+01  0.109841D+00 -0.510008D+01 -0.718647D+01  0.542309D+00
      2  -0.649753D+01 -0.130835D+01 -0.670425D+01 -0.707554D+01 -0.684712D+01
      3   0.743463D+01  0.121688D+01  0.118976D+02  0.897062D+01 -0.865946D+01
               146           147           148           149           150 
      1   0.167398D+01  0.177920D+01  0.110061D+01 -0.273278D+00 -0.119800D+01
      2   0.117829D+00  0.585819D+01  0.880836D+00 -0.174551D+01 -0.210046D+00
      3  -0.626174D+01 -0.475392D+00 -0.155132D+01 -0.160078D+00  0.137483D+01
               151           152           153           154           155 
      1   0.131151D+01 -0.373647D+00  0.325765D+00 -0.502922D+01 -0.160376D+01
      2   0.283955D+01 -0.167954D+01  0.254576D+01  0.100950D+02  0.331326D+00
      3  -0.169680D+01  0.940711D+00  0.523897D+00 -0.644592D+01 -0.255431D+02
               156           157           158           159           160 
      1  -0.556945D+01 -0.987010D+01 -0.358893D+01  0.407753D+00 -0.296714D+01
      2   0.221642D+02 -0.283390D+01  0.110528D+01  0.622486D+01  0.673767D+01
      3   0.124579D+01 -0.175792D+02 -0.158367D+02  0.180012D+01  0.408781D+00
               161           162           163           164           165 
      1   0.252354D+01  0.443027D+00 -0.748979D+01 -0.279636D+01  0.745413D+00
      2   0.376833D+01 -0.158056D+01  0.100803D+02  0.396152D+01  0.175353D+01
      3   0.215805D+01 -0.207458D+01 -0.638815D+01 -0.310587D+01 -0.861960D-02
               166           167           168           169           170 
      1  -0.653361D+01 -0.542738D+00  0.505333D+01  0.197963D+01  0.788908D+01
      2   0.409207D+01 -0.563285D+01  0.156466D+01 -0.114034D+02  0.652045D+00
      3   0.670338D+00 -0.124594D+00  0.630179D+01 -0.234746D+01  0.257354D+01
               171           172           173           174           175 
      1   0.313387D+01  0.818854D+01  0.249765D+01 -0.180611D+01  0.730883D+01
      2  -0.228064D+02 -0.221525D+02 -0.274959D+01 -0.650321D+01 -0.500833D+01
      3  -0.359217D+00  0.361122D+01  0.173289D+01 -0.118255D+01  0.545942D+01
               176           177           178           179           180 
      1   0.799357D+00 -0.298392D+01 -0.173435D+01 -0.134072D+01  0.685660D+00
      2  -0.268256D+01 -0.188299D+01 -0.151965D+01  0.276755D+00 -0.187864D+01
      3   0.174129D+00  0.631919D+00 -0.214608D+01 -0.792504D+00  0.727725D+00
               181           182           183           184           185 
      1  -0.614602D+00 -0.141722D+01 -0.722057D+01  0.406021D+01 -0.303215D+01
      2  -0.152587D+01  0.134845D+01  0.801938D+01  0.303212D+01 -0.878912D+01
      3   0.239486D+02 -0.136722D+02  0.750562D+00 -0.633665D+01  0.281602D+02
               186           187           188           189           190 
      1  -0.194823D+01 -0.165573D+02  0.501966D+01 -0.354701D+01 -0.157995D+01
      2   0.238673D+01  0.444990D+00  0.114385D+02  0.542976D+01  0.961078D+01
      3   0.477137D+01 -0.398218D+00  0.608975D+01  0.250128D+01  0.843110D+01
               191           192           193           194           195 
      1  -0.649343D+01 -0.168865D+01 -0.835285D+01 -0.485376D+01  0.357235D+01
      2  -0.343224D+01  0.273344D+01 -0.320506D+01  0.560747D+01  0.119389D+01
      3   0.200107D+02  0.478913D+01  0.570349D+02 -0.221464D+02  0.295354D+01
               196           197           198           199           200 
      1   0.177699D+01  0.136734D+02  0.341651D+01  0.577005D+00  0.431322D+01
      2   0.226527D+01  0.255580D+01  0.362831D+01 -0.150898D+02  0.111978D+01
      3   0.120909D+02  0.106643D+01  0.636098D-01  0.258173D+00 -0.187974D+02
               201           202           203           204           205 
      1   0.623701D+00  0.156488D+01  0.218327D+01 -0.357383D+01  0.330571D+01
      2   0.291081D+01 -0.823863D+00  0.285652D+01 -0.596766D+01 -0.214942D+02
      3  -0.307544D+01 -0.139152D+02  0.525037D+00 -0.431868D+01 -0.601294D+01
               206           207           208           209           210 
      1   0.373681D+01  0.797211D+00  0.177371D+01  0.610806D+01  0.172442D+01
      2  -0.130031D+02 -0.587744D+01  0.207871D+01  0.517733D+01  0.106626D+02
      3  -0.542590D+01  0.477832D+01 -0.152471D+02 -0.395092D+02 -0.665402D+01
               211           212           213           214           215 
      1   0.107826D+01  0.164006D+01 -0.677572D+01 -0.294531D+01 -0.296029D+00
      2   0.199372D+01  0.244348D+01 -0.846141D+01 -0.571561D+01  0.520977D+01
      3  -0.222156D+01 -0.545860D+01 -0.305870D+01 -0.376580D+01 -0.499303D+01
               216           217           218           219           220 
      1  -0.155156D+01 -0.263271D+01 -0.151194D+01  0.178941D+01  0.102322D+01
      2   0.222896D+00 -0.736110D+01 -0.367954D+01  0.801644D+01 -0.385130D+01
      3  -0.297759D+01  0.371437D+02 -0.112626D+02  0.828675D+01  0.237153D+01
               221           222           223           224           225 
      1  -0.644669D+00  0.855811D+01 -0.135046D+02  0.987698D+01  0.487803D+01
      2  -0.749639D+01  0.338410D+02 -0.962132D+01  0.224207D+02  0.159927D+02
      3  -0.212718D+02  0.944587D+01  0.618122D+01  0.625111D+01 -0.286641D+02
               226           227           228           229           230 
      1   0.466832D+00 -0.578999D+00  0.157834D+01  0.361365D+00  0.557554D-01
      2   0.109297D+01 -0.100892D+01  0.384924D+00 -0.113941D+01  0.338479D+01
      3  -0.814965D+01  0.772480D+01  0.501324D+00  0.644584D+01 -0.209184D+02
               231           232           233           234           235 
      1  -0.448023D+01 -0.835587D+00  0.208181D+01 -0.477004D+00 -0.141265D+01
      2   0.536251D+00  0.253479D+00  0.432825D+00  0.105194D+00  0.200015D+01
      3  -0.326877D+01  0.143782D-01 -0.254798D+01  0.184821D+00  0.234832D+00
               236           237           238           239           240 
      1  -0.152904D+00 -0.252790D+01 -0.901246D+00  0.760665D-01 -0.349998D+01
      2   0.187919D+01  0.348443D+01  0.285992D+01  0.337625D+01  0.456687D+01
      3  -0.617308D+01 -0.631973D+00 -0.636928D+01 -0.140311D+02 -0.261073D+01
               241           242           243           244           245 
      1   0.275194D+01  0.114863D+01 -0.245773D+00  0.521835D+00 -0.513343D+00
      2  -0.250079D+01  0.160845D+01  0.115452D+01  0.712713D+00 -0.611167D+00
      3  -0.105079D+01 -0.263417D+01 -0.195289D+01  0.825985D+00 -0.219240D+01
               246           247           248           249           250 
      1   0.776194D+00 -0.605013D+00  0.381271D+00 -0.303719D+01  0.183597D+00
      2   0.389044D+00 -0.567390D+00 -0.142799D+01 -0.212752D+01 -0.177674D+01
      3  -0.140695D+00 -0.105578D+01  0.145949D+02  0.208894D+01 -0.331268D+00
               251           252           253           254           255 
      1   0.145519D+01 -0.122779D+00  0.149925D+01  0.630316D+00  0.121859D+01
      2   0.111163D+01 -0.148300D+00  0.560735D+01  0.309386D-01  0.953301D+01
      3   0.285664D+01 -0.258300D+00 -0.130028D+02 -0.852700D+01 -0.156205D+01
               256           257           258           259           260 
      1   0.218267D+00  0.453942D+00 -0.683885D+00  0.195355D+01 -0.163787D-01
      2   0.549755D+00  0.127605D+01  0.197309D+00  0.789989D+01 -0.176454D+01
      3  -0.623381D+01 -0.317423D+01 -0.172898D+01 -0.149017D+01 -0.230242D+01
               261           262           263           264           265 
      1   0.983951D-01 -0.400166D+00  0.541997D-01 -0.124550D+01  0.971663D+00
      2   0.185765D+01 -0.625866D+01  0.122854D+01 -0.266362D+01  0.619149D+01
      3   0.135415D+01 -0.770861D+00  0.285074D+01  0.290759D+00 -0.562798D+01
               266           267           268           269           270 
      1  -0.208380D+01 -0.416898D+01  0.531067D+01 -0.142951D+01 -0.100696D+02
      2  -0.824546D+01 -0.126592D+02  0.120369D+02 -0.140324D+02 -0.338371D+02
      3   0.133720D+02  0.939604D+01 -0.807692D+01  0.132134D+02  0.176443D+02
               271           272           273           274           275 
      1  -0.241880D+00  0.514648D-01 -0.249956D+01 -0.785321D+00  0.939374D+00
      2   0.505550D+01  0.286769D+01 -0.615689D+01 -0.404512D+01  0.130341D+02
      3   0.286643D+00  0.802685D+01 -0.543221D+01 -0.677926D+01  0.277235D+02
               276           277           278           279 
      1  -0.457205D+01  0.269963D+01 -0.110631D+01  0.525013D+01
      2  -0.152933D+02  0.514466D+01 -0.150235D+02  0.183184D+02
      3  -0.165819D+02  0.469688D+01 -0.174064D+02  0.190670D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.692841D+02 -0.229428D+02 -0.906721D+01  0.791079D+02  0.257501D+01
      2   0.342304D+02  0.126670D+02  0.692264D+01 -0.358590D+02  0.891446D+01
      3   0.350537D+02  0.102757D+02  0.214458D+01 -0.432488D+02 -0.114895D+02
      4   0.204832D+01  0.128189D+02  0.351979D+01  0.118098D+02  0.211712D+02
      5  -0.994506D+01  0.114194D+01 -0.281560D+01  0.136346D+01  0.211129D+01
      6  -0.240075D+01  0.279245D+01 -0.100291D+01 -0.163962D+01 -0.454538D+00
                 6             7             8             9            10 
      1   0.106671D+02  0.444495D+01 -0.486946D+00 -0.809121D+01  0.916194D+02
      2  -0.224533D+01  0.554355D+00  0.253955D+01 -0.465737D+00 -0.368806D+02
      3  -0.842172D+01 -0.499931D+01 -0.205260D+01  0.855695D+01 -0.547388D+02
      4   0.538126D+01  0.254400D+01  0.388453D+01  0.260524D+01 -0.229746D+02
      5  -0.353063D+01 -0.496237D+00  0.148810D+01 -0.355183D+01  0.767224D+01
      6  -0.590123D+00 -0.326089D+01  0.484707D+01 -0.255075D+01  0.521281D+00
                11            12            13            14            15 
      1  -0.103330D+02  0.955826D+01 -0.770348D+02 -0.241283D+02 -0.106959D+02
      2   0.733038D+01 -0.229585D+01  0.279357D+02  0.147353D+02  0.730644D+01
      3   0.300266D+01 -0.726241D+01  0.490991D+02  0.939295D+01  0.338947D+01
      4   0.918658D+01  0.235471D+01 -0.273243D+02 -0.196861D+02 -0.475069D+01
      5   0.415708D+01 -0.113003D+02 -0.348586D+01 -0.631095D+00  0.161101D+01
      6  -0.112754D+00  0.112742D-01 -0.218687D+01  0.440042D+01 -0.149333D+01
                16            17            18            19            20 
      1  -0.254537D+01 -0.385267D+01 -0.699487D+01  0.385145D+02  0.336314D+02
      2   0.307672D+01  0.183861D+01 -0.159914D+01 -0.174218D+02 -0.214124D+02
      3  -0.531347D+00  0.201406D+01  0.859401D+01 -0.210926D+02 -0.122191D+02
      4  -0.769939D+01 -0.213659D+01 -0.515519D+01  0.431556D+01 -0.186276D+02
      5   0.156373D+01 -0.307103D+01 -0.489886D+01  0.943719D+01  0.192604D+01
      6  -0.327632D+01  0.476055D+01 -0.147579D+01  0.381229D+01 -0.767876D+01
                21            22            23            24            25 
      1   0.145916D+02 -0.130999D+02  0.202668D+02  0.115025D+02  0.387875D+01
      2  -0.798084D+01  0.225053D+02 -0.225869D+02 -0.680788D+01  0.567742D+01
      3  -0.661078D+01 -0.940541D+01  0.232009D+01 -0.469459D+01 -0.955617D+01
      4  -0.111153D+01  0.914792D+01 -0.164397D+01  0.228559D+01  0.758291D+01
      5  -0.498691D+00  0.678882D+01  0.318810D+01 -0.583015D+01  0.113499D+02
      6  -0.116868D+01  0.744672D+01 -0.991018D+01  0.514839D+01  0.114272D+01
                26            27            28            29            30 
      1   0.172694D+02 -0.384807D+01  0.279538D+02  0.726530D+01 -0.110543D+02
      2  -0.104581D+02 -0.509989D+01 -0.349278D+02 -0.321190D+01  0.439271D+01
      3  -0.681129D+01  0.894796D+01  0.697394D+01 -0.405339D+01  0.666157D+01
      4   0.774380D+00 -0.460736D+01  0.155513D+02  0.130206D+02  0.163417D+01
      5  -0.739978D+01 -0.519333D+01 -0.111208D+02  0.203875D+01  0.783697D+01
      6   0.785965D+01 -0.388065D+01 -0.771878D+01  0.371409D+01  0.141621D+01
                31            32            33            34            35 
      1  -0.251362D+02 -0.518499D+02 -0.123402D+02 -0.176435D+02 -0.116420D+02
      2   0.152545D+02  0.420942D+02  0.136215D+02  0.147323D+00  0.849110D+01
      3   0.988166D+01  0.975572D+01 -0.128130D+01  0.174962D+02  0.315086D+01
      4  -0.319024D+02  0.159154D+02  0.482026D+01 -0.106025D+02  0.584709D+01
      5  -0.152679D+02  0.518213D+00 -0.334922D-01  0.221353D+02  0.453186D+01
      6  -0.352060D+01  0.139371D+02 -0.438285D+00 -0.149726D+01  0.707076D+01
                36            37            38            39            40 
      1  -0.811565D+01 -0.133537D+02 -0.656489D+02 -0.143824D+02  0.298824D+02
      2  -0.625727D+01  0.620114D+01  0.453511D+02  0.371438D+01 -0.275987D+02
      3   0.143729D+02  0.715259D+01  0.202978D+02  0.106680D+02 -0.228371D+01
      4   0.208005D+01 -0.254803D+02 -0.110327D+01 -0.531401D+01  0.207747D+02
      5   0.255336D+01  0.279977D-01 -0.836008D+01  0.156501D+01  0.593580D-01
      6  -0.188992D+01 -0.534432D+01  0.811064D+01  0.113864D+02 -0.746288D+01
                41            42            43            44            45 
      1   0.291498D+02  0.613477D+01 -0.110197D+01 -0.711716D+01 -0.191035D+02
      2  -0.253842D+02 -0.770775D+01 -0.125457D+02 -0.347591D+01 -0.102849D+01
      3  -0.376560D+01  0.157298D+01  0.136477D+02  0.105931D+02  0.201320D+02
      4  -0.213279D+02 -0.698278D+01 -0.106467D+02 -0.799967D+01  0.438867D+01
      5  -0.485711D+01  0.572089D+01  0.130456D+02  0.463791D+01  0.664419D+01
      6  -0.118762D+02 -0.347442D+00  0.145615D+02  0.108830D+02  0.852133D+01
                46            47            48            49            50 
      1   0.163208D+02  0.523209D+02  0.165383D+02 -0.212357D+02  0.400020D+01
      2  -0.108452D+02 -0.321622D+02 -0.375466D+01  0.177834D+02 -0.106332D+02
      3  -0.547556D+01 -0.201587D+02 -0.127837D+02  0.345221D+01  0.663304D+01
      4   0.265928D+02 -0.109934D+02  0.466099D+00  0.156502D+02  0.133445D+02
      5  -0.643944D+01 -0.526370D+00  0.139162D+01 -0.165907D+01  0.214668D+01
      6   0.897776D+00 -0.114018D+02 -0.119787D+02  0.516502D+01 -0.770384D+01
                51            52            53            54            55 
      1   0.224752D+01  0.119474D+01  0.972482D+01 -0.209642D+02 -0.197242D+02
      2  -0.576568D+01  0.229402D+01 -0.177179D+02  0.720141D+01  0.310425D+01
      3   0.351816D+01 -0.348876D+01  0.799309D+01  0.137628D+02  0.166200D+02
      4   0.413982D+01  0.605016D+01 -0.985332D+00 -0.280733D+01 -0.192750D+02
      5   0.856358D-01  0.376894D+01 -0.999688D+00 -0.461243D+01  0.374241D+01
      6   0.639307D+01 -0.323862D+01  0.177277D+02  0.563172D+01  0.229820D+01
                56            57            58            59            60 
      1   0.326820D+02  0.743705D+01 -0.595196D+01  0.131538D+02  0.607035D+01
      2  -0.280281D+02 -0.209853D+01  0.840041D+01 -0.163300D+02 -0.684433D+01
      3  -0.465390D+01 -0.533852D+01 -0.244845D+01  0.317624D+01  0.773975D+00
      4  -0.555464D+02 -0.881762D+01  0.131394D+02  0.115027D+02 -0.650229D+00
      5  -0.456217D+01 -0.108240D+02  0.464081D+01 -0.841824D+00  0.526702D+01
      6  -0.525350D+01 -0.132058D+02  0.377715D+01 -0.803098D+01  0.776022D+01
                61            62            63            64            65 
      1  -0.824469D+00  0.101381D+02 -0.264081D+02  0.284204D+01  0.386183D-01
      2   0.121029D+01 -0.156218D+02  0.120761D+02  0.160425D+01 -0.226280D+01
      3  -0.385819D+00  0.548374D+01  0.143319D+02 -0.444629D+01  0.222418D+01
      4  -0.704374D+00 -0.118296D+02  0.774456D+01 -0.103283D+02  0.101172D+02
      5  -0.116492D+01  0.126708D+02 -0.109753D+01  0.287929D+01 -0.959469D+00
      6  -0.354844D+01  0.212308D+02  0.907859D+00 -0.168759D+01  0.153635D+01
                66            67            68            69            70 
      1   0.990212D+00  0.417819D+01 -0.196571D+02 -0.981777D+00  0.345841D+01
      2  -0.506935D+00 -0.894112D+01  0.266305D+02  0.825810D+00 -0.278078D+01
      3  -0.483277D+00  0.476294D+01 -0.697341D+01  0.155967D+00 -0.677628D+00
      4  -0.191968D+00  0.141145D+02 -0.195686D+02 -0.708900D+00  0.565864D+00
      5   0.101729D+01 -0.521943D+00 -0.578967D+00 -0.230398D+01  0.194873D+00
      6  -0.769376D+00  0.165414D+01 -0.212668D+01  0.435380D+01 -0.200083D+01
                71            72            73            74            75 
      1  -0.325014D+01 -0.291004D+01  0.853179D+00 -0.514470D+01 -0.207799D+01
      2   0.321211D+01  0.299820D+01  0.539232D+01  0.105197D+02  0.183652D+01
      3   0.380370D-01 -0.881615D-01 -0.624549D+01 -0.537496D+01  0.241473D+00
      4  -0.217892D+01 -0.117135D+01  0.221894D+02  0.209713D+02  0.582828D+01
      5  -0.289904D+00 -0.217272D+00  0.850758D+01  0.613499D+01  0.521663D+01
      6   0.207626D+01  0.107772D+01  0.774028D+01  0.774502D+01  0.454773D+01
                76            77            78            79            80 
      1  -0.995534D+01 -0.209047D+02 -0.658468D+01 -0.682264D+00 -0.418056D+01
      2   0.163616D+02  0.298230D+02  0.585532D+01  0.409087D+01  0.535743D+01
      3  -0.640624D+01 -0.891832D+01  0.729356D+00 -0.340860D+01 -0.117687D+01
      4   0.237376D+02  0.296744D+02  0.728309D+01  0.732827D+01  0.713327D+01
      5   0.672601D+01  0.753805D+01  0.506811D+01  0.206899D+01  0.360035D+01
      6   0.103799D+02  0.146602D+02  0.876579D+01  0.148133D+01  0.550545D+01
                81            82            83            84            85 
      1  -0.186710D+01 -0.531550D+01  0.988605D+01  0.965985D+00  0.866810D+01
      2   0.253734D+01  0.818935D+01 -0.146504D+02 -0.120485D+01 -0.107659D+02
      3  -0.670238D+00 -0.287385D+01  0.476434D+01  0.238863D+00  0.209779D+01
      4   0.433186D+01 -0.747880D+01  0.152348D+02  0.216072D+01  0.930034D+01
      5   0.222620D+01 -0.255802D+01  0.377021D+01  0.269371D+01  0.248349D+01
      6   0.318604D+01  0.259491D+01 -0.359865D+01 -0.239466D+01 -0.366284D+01
                86            87            88            89            90 
      1  -0.456611D+02 -0.802556D+01  0.916814D+00 -0.656448D+01 -0.218487D+01
      2   0.594611D+02  0.756251D+01 -0.151466D+01  0.775971D+01  0.242609D+01
      3  -0.138000D+02  0.463046D+00  0.597850D+00 -0.119523D+01 -0.241219D+00
      4  -0.208288D+02 -0.325458D+01  0.171897D+01 -0.947073D+00 -0.227495D+01
      5  -0.656642D+01 -0.261519D+01  0.156837D+01 -0.267352D+01 -0.663783D+00
      6   0.161366D+02  0.922447D+01 -0.343947D+00  0.522553D+01  0.212171D+01
                91            92            93            94            95 
      1  -0.414461D+02 -0.190796D+02  0.133643D+02 -0.881290D+01 -0.395562D+01
      2   0.342348D+02  0.166115D+02 -0.716739D+01  0.112828D+02  0.304773D+01
      3   0.721131D+01  0.246813D+01 -0.619693D+01 -0.246991D+01  0.907897D+00
      4  -0.216606D+02 -0.165565D+02  0.301644D+01 -0.280626D+02  0.133624D+02
      5   0.164294D+02  0.254165D+01 -0.244109D+02 -0.172424D+01 -0.268083D+02
      6   0.320396D+01 -0.573793D+01  0.785190D-01 -0.773703D+01  0.272039D+01
                96            97            98            99           100 
      1  -0.365077D+01  0.367346D+02  0.691937D+01 -0.197242D+02 -0.666187D+02
      2   0.679852D+01 -0.266834D+02  0.389967D+00  0.136546D+02  0.388906D+02
      3  -0.314775D+01 -0.100512D+02 -0.730934D+01  0.606959D+01  0.277281D+02
      4  -0.274501D+02  0.863066D+01 -0.213994D+02 -0.164852D+02  0.208627D+02
      5  -0.614896D+01 -0.446381D+02 -0.169099D+02 -0.164499D+01 -0.307490D+02
      6  -0.988804D+01 -0.975552D+01 -0.300118D+01 -0.759609D+01  0.383640D+01
               101           102           103           104           105 
      1   0.220495D+02 -0.293736D+02 -0.358775D+01  0.105532D+02 -0.336097D+01
      2  -0.157247D+02  0.920070D+01 -0.240656D+01 -0.678500D+01 -0.149856D+02
      3  -0.632488D+01  0.201729D+02  0.599431D+01 -0.376823D+01  0.183466D+02
      4   0.181898D+02 -0.480521D+01  0.226506D+02 -0.153337D+02  0.271424D+02
      5  -0.579574D+01  0.213408D+02 -0.873841D+01  0.273011D+02  0.983335D+01
      6   0.675257D+01 -0.129537D+02  0.968219D+01 -0.116988D+02 -0.417592D+01
               106           107           108           109           110 
      1  -0.204491D+02 -0.808203D+01  0.365766D+02 -0.955129D+02 -0.189938D+02
      2   0.104641D+02 -0.113842D+02 -0.167543D+02  0.353857D+02  0.281623D+00
      3   0.998502D+01  0.194663D+02 -0.198223D+02  0.601273D+02  0.187122D+02
      4  -0.687248D+01  0.174799D+02  0.165391D+02 -0.362862D+02 -0.271911D+02
      5   0.123298D+02  0.203972D+02 -0.131893D+02  0.176211D+02  0.778311D+01
      6  -0.629531D+01 -0.984145D+01  0.156573D+02  0.184508D+01  0.289468D+01
               111           112           113           114           115 
      1   0.109737D+02 -0.214496D+02 -0.103804D+02  0.477238D+01 -0.565992D+02
      2  -0.209420D+01  0.474860D+01  0.574941D+01 -0.758041D+00  0.420480D+02
      3  -0.887945D+01  0.167010D+02  0.463097D+01 -0.401434D+01  0.145512D+02
      4   0.588869D+01  0.719164D+01 -0.134335D+02  0.297131D+01 -0.904126D+01
      5  -0.768549D+01  0.548318D+01  0.387027D+01 -0.158920D+01  0.446209D+02
      6  -0.276711D+01  0.490829D+01  0.407702D+00  0.372096D+01  0.129215D+02
               116           117           118           119           120 
      1  -0.580125D+01  0.331906D+02  0.123296D+02  0.826430D+01  0.602044D+01
      2   0.606741D+01 -0.118171D+02 -0.958126D+01 -0.608829D+01 -0.535698D+01
      3  -0.266166D+00 -0.213735D+02 -0.274831D+01 -0.217601D+01 -0.663458D+00
      4  -0.867939D+00  0.913868D+01  0.150472D+02  0.125197D+02  0.515898D+01
      5   0.884759D+01 -0.431597D+01  0.154597D+02  0.599504D+01  0.166606D+02
      6  -0.951998D+00  0.903199D+00  0.581500D+01  0.291532D+01  0.324225D+01
               121           122           123           124           125 
      1   0.175182D+02  0.802906D+00 -0.184358D+00  0.758561D+01 -0.111373D+01
      2  -0.116429D+02 -0.463787D+00 -0.268603D+01 -0.832311D+01 -0.371731D+01
      3  -0.587533D+01 -0.339119D+00  0.287039D+01  0.737495D+00  0.483104D+01
      4   0.169534D+02  0.192496D+02  0.164614D+02  0.711296D+01  0.166737D+02
      5   0.129171D+02  0.166437D+02  0.155307D+02  0.240412D+02  0.142923D+02
      6   0.521922D+01  0.975262D+01  0.102240D+02  0.607339D+01  0.869144D+01
               126           127           128           129           130 
      1  -0.292495D+00 -0.512832D+01 -0.105478D+02  0.206474D+02 -0.945770D+00
      2  -0.103514D+02  0.826086D-01  0.606487D+01 -0.475363D+01 -0.279106D-01
      3   0.106439D+02  0.504572D+01  0.448291D+01 -0.158938D+02  0.973681D+00
      4   0.144695D+02  0.259073D+00 -0.641044D+01  0.305064D+01  0.137990D+01
      5   0.293526D+02  0.462931D+01  0.502675D+01 -0.101569D+02 -0.916314D+00
      6   0.997815D+01 -0.344958D+01 -0.658913D+01  0.107627D+02 -0.131311D+01
               131           132           133           134           135 
      1  -0.120557D+02  0.113238D+02  0.118534D+02  0.143380D+02 -0.373811D+02
      2   0.747862D+01 -0.422365D+01 -0.499524D+01 -0.372049D+01 -0.795846D+00
      3   0.457713D+01 -0.710018D+01 -0.685816D+01 -0.106175D+02  0.381770D+02
      4  -0.775904D+01  0.607099D+01 -0.703168D+01  0.126663D+02 -0.156154D+02
      5   0.596823D+01 -0.102039D+02  0.605855D+01 -0.182953D+02  0.415324D+02
      6  -0.913403D+01  0.138015D+02 -0.142030D-01  0.166770D+02 -0.288835D+02
               136           137           138           139           140 
      1   0.278006D+01 -0.744061D+01 -0.974082D+00 -0.655718D+01 -0.131640D+02
      2   0.668523D+00  0.606291D+01  0.205898D+01  0.114214D+01  0.267296D+02
      3  -0.344858D+01  0.137771D+01 -0.108490D+01  0.541505D+01 -0.135656D+02
      4  -0.361066D+01 -0.200416D+01  0.156440D+01  0.949295D+01 -0.293504D+02
      5  -0.183254D+01  0.285030D-01 -0.339349D+01 -0.402126D+00 -0.126928D+02
      6   0.164960D+01 -0.743808D+00  0.257609D+01 -0.437107D+00  0.393470D+01
               141           142           143           144           145 
      1  -0.416432D+01 -0.591448D+01 -0.412131D+01 -0.892065D+01  0.106470D+03
      2   0.120288D+02  0.141739D+01  0.143641D+02  0.102746D+02 -0.566322D+02
      3  -0.786447D+01  0.449709D+01 -0.102428D+02 -0.135390D+01 -0.498374D+02
      4  -0.114637D+02  0.996326D+01 -0.223389D+02 -0.112920D+02 -0.463229D+02
      5  -0.129269D+02 -0.257671D+00 -0.124405D+02 -0.148766D+02  0.411348D+02
      6   0.786403D+01  0.154561D+00  0.657537D+01  0.682562D+01 -0.949403D+01
               146           147           148           149           150 
      1  -0.164023D+02  0.164712D+02 -0.390060D+01  0.730630D+01  0.279282D+00
      2   0.538135D+01 -0.114782D+02 -0.128614D+01 -0.198039D+01  0.268283D+00
      3   0.110209D+02 -0.499299D+01  0.518674D+01 -0.532591D+01 -0.547565D+00
      4   0.207797D+02 -0.918880D+01  0.129765D+02 -0.495222D+01  0.346211D-01
      5  -0.849361D+01  0.197945D+02  0.713237D-01  0.148029D+01 -0.448982D+00
      6   0.475565D+01 -0.511676D+01  0.304137D+01 -0.278528D+00  0.209469D+01
               151           152           153           154           155 
      1   0.115881D+02 -0.647755D+00  0.692476D+01  0.198147D+03  0.341347D+02
      2  -0.920797D+01  0.210027D+01 -0.608931D+01 -0.904484D+02 -0.967214D+01
      3  -0.238015D+01 -0.145252D+01 -0.835455D+00 -0.107699D+03 -0.244626D+02
      4  -0.408105D+01  0.321949D+00 -0.577184D+01  0.551093D+02  0.482012D+02
      5   0.182387D+02 -0.493414D+01  0.104401D+02 -0.373707D+02 -0.101178D+02
      6  -0.386310D+01  0.296797D+01 -0.329148D+01 -0.141687D+01 -0.437608D+01
               156           157           158           159           160 
      1  -0.110291D+02  0.309151D+02  0.356700D+02 -0.583869D+00 -0.919488D+01
      2   0.100805D+02 -0.576030D+01 -0.868556D+01  0.602987D+00  0.920854D+01
      3   0.948641D+00 -0.251548D+02 -0.269844D+02 -0.191186D-01 -0.136584D-01
      4  -0.757481D+01  0.561488D+02  0.387369D+02 -0.530062D+01 -0.601469D+01
      5   0.396369D+02 -0.621913D+01 -0.903601D+01  0.892928D+01  0.375088D+02
      6   0.353062D+01 -0.930281D+01 -0.494833D+01  0.593220D+01  0.452719D+01
               161           162           163           164           165 
      1  -0.139444D+01  0.211243D+02  0.700471D+02  0.120951D+02 -0.210435D+02
      2   0.145985D+01 -0.138544D+02 -0.461913D+02 -0.531353D+01  0.133621D+02
      3  -0.654051D-01 -0.726991D+01 -0.238557D+02 -0.678159D+01  0.768139D+01
      4  -0.234024D+01  0.880562D+01  0.202418D+02  0.839554D+01 -0.160360D+01
      5   0.898923D+01 -0.956042D+01 -0.409727D+02 -0.189760D+01  0.210847D+02
      6   0.515086D+01 -0.233591D+01 -0.696542D+01 -0.116680D+01  0.101044D+01
               166           167           168           169           170 
      1   0.195319D+02 -0.853168D+01  0.891581D+00  0.123277D+02  0.497163D+01
      2  -0.113935D+02  0.208022D+01 -0.887878D+00 -0.357092D+01 -0.283510D+01
      3  -0.813841D+01  0.645146D+01 -0.370260D-02 -0.875679D+01 -0.213653D+01
      4   0.626877D+01 -0.113983D+01 -0.982396D+01  0.448281D+01 -0.408507D+01
      5  -0.773311D+01 -0.940974D+01  0.131559D+01  0.931990D+01  0.387503D-02
      6  -0.342679D+01 -0.219361D+01  0.115985D+02 -0.223106D+01  0.973451D+01
               171           172           173           174           175 
      1  -0.359522D+02 -0.578864D+02 -0.541887D+01 -0.236748D+01 -0.144106D+02
      2  -0.102010D+02  0.359472D+02  0.317073D+01 -0.836506D+01  0.103730D+02
      3   0.461532D+02  0.219393D+02  0.224814D+01  0.107325D+02  0.403764D+01
      4  -0.228058D+01 -0.129603D+02 -0.495469D+01  0.123045D+01 -0.193937D+01
      5  -0.391377D+02  0.298874D+02  0.179823D+01 -0.194240D+02  0.714199D+01
      6  -0.238479D+01  0.533453D+01  0.334630D+01 -0.152625D+01  0.172670D+01
               176           177           178           179           180 
      1  -0.493687D+01 -0.475582D-01  0.177052D+02  0.236048D+01 -0.112149D+02
      2   0.281031D+01 -0.284898D+01 -0.164749D+02 -0.202234D+01  0.620384D+01
      3   0.212655D+01  0.289654D+01 -0.123023D+01 -0.338143D+00  0.501104D+01
      4  -0.899800D+00 -0.248082D+01  0.663238D+01  0.108152D+01 -0.214647D+01
      5  -0.204921D+01 -0.553069D+01 -0.160168D+02 -0.116109D+01  0.528614D+01
      6   0.132214D+01  0.254888D+01 -0.230031D+01  0.604754D+00  0.164845D+01
               181           182           183           184           185 
      1   0.347003D+02 -0.511066D+02 -0.660411D+01  0.419384D+02  0.158954D+02
      2  -0.165681D+02  0.417730D+02  0.144180D+01 -0.303618D+02 -0.178728D+02
      3  -0.181322D+02  0.933358D+01  0.516231D+01 -0.115766D+02  0.197738D+01
      4  -0.230243D+01  0.391139D+02 -0.189536D+01  0.592045D+01 -0.266424D+02
      5  -0.784953D+01 -0.397024D+01  0.132076D+02 -0.396581D+01 -0.120387D+02
      6  -0.760976D+01 -0.109777D+01  0.123295D+02 -0.771588D+01 -0.943766D+01
               186           187           188           189           190 
      1   0.406693D+01  0.560603D+01 -0.785024D+01  0.325602D+00  0.103442D+03
      2  -0.550016D+01 -0.137888D+02 -0.129896D+01 -0.814620D+01 -0.560268D+02
      3   0.143323D+01  0.818277D+01  0.914920D+01  0.782060D+01 -0.474153D+02
      4  -0.103853D+02 -0.116304D+02 -0.101851D+02  0.216765D+02  0.250640D+01
      5   0.753619D+01  0.320359D+02  0.188229D+02  0.129017D+02 -0.356354D+01
      6   0.196430D+01  0.216972D+02  0.145974D+02  0.694291D+01 -0.277517D+01
               191           192           193           194           195 
      1   0.863587D+01  0.699332D+01  0.626853D+02 -0.373374D+02 -0.496888D+01
      2   0.468244D+01 -0.751121D+00 -0.256769D+02  0.395813D+02  0.109633D+02
      3  -0.133183D+02 -0.624219D+01 -0.370084D+02 -0.224386D+01 -0.599439D+01
      4   0.180638D+02  0.160303D+01 -0.441866D+02  0.542210D+02  0.386555D+01
      5   0.247844D+01  0.868434D+01 -0.115903D+02  0.870731D+01  0.333809D+01
      6   0.258772D+00  0.317778D+01 -0.323160D+01  0.837103D+01 -0.646049D+01
               196           197           198           199           200 
      1   0.110596D+02 -0.110653D+02  0.227785D+02 -0.109541D+03  0.160128D+02
      2  -0.642236D+01  0.100116D+02 -0.198009D+02  0.455792D+02 -0.162083D+02
      3  -0.463724D+01  0.105364D+01 -0.297756D+01  0.639617D+02  0.195478D+00
      4  -0.172013D+02  0.964819D+01  0.217806D+01  0.251746D+02 -0.253965D+02
      5   0.497976D+02  0.845100D+01  0.842725D+01 -0.745675D+01 -0.260549D+01
      6   0.121961D+01  0.688217D+01 -0.344149D+01  0.194483D+01 -0.350131D+01
               201           202           203           204           205 
      1  -0.659008D+01 -0.936962D+02  0.129348D+02 -0.228870D+01 -0.291380D+02
      2   0.232492D+01  0.575134D+02 -0.206709D+02 -0.157754D+01  0.176692D+02
      3   0.426517D+01  0.361828D+02  0.773605D+01  0.386623D+01  0.114687D+02
      4  -0.341583D+00  0.256327D+02 -0.203267D+02  0.429038D+01  0.952251D+01
      5   0.623235D+01 -0.139906D+01  0.224969D+01 -0.134988D+02  0.490795D+01
      6  -0.966008D+00  0.653372D+01 -0.780816D+01  0.862742D+01 -0.196977D+01
               206           207           208           209           210 
      1   0.103720D+02 -0.133868D+02  0.366753D+02  0.746275D+01  0.229182D+01
      2  -0.973868D+01 -0.413389D+01 -0.216693D+02 -0.611168D+01 -0.347984D+01
      3  -0.633338D+00  0.175207D+02 -0.150060D+02 -0.135107D+01  0.118802D+01
      4  -0.395470D+00 -0.170373D+02  0.158812D+02  0.713819D+01 -0.771486D+00
      5  -0.214207D+02 -0.119609D+02  0.997867D+01 -0.142712D+01  0.192409D+02
      6   0.782109D+01 -0.114025D+01  0.789025D+00  0.212210D+01 -0.327515D+01
               211           212           213           214           215 
      1   0.883724D+01  0.534179D+01  0.469753D+01  0.302764D+01  0.484884D-01
      2  -0.473471D+01 -0.202070D+01 -0.559072D+01 -0.390023D+01 -0.212506D+01
      3  -0.410253D+01 -0.332109D+01  0.893189D+00  0.872597D+00  0.207657D+01
      4   0.345652D+02  0.163631D+02  0.676106D+01  0.514320D+01  0.121328D+01
      5   0.721257D+01  0.471949D+01 -0.160940D+02  0.124074D+02  0.523722D+01
      6   0.768876D+00 -0.188060D+01  0.120100D+02  0.167974D+01  0.368689D+01
               216           217           218           219           220 
      1   0.470819D+01 -0.841569D+02 -0.923807D+01 -0.174984D+02 -0.182809D+02
      2  -0.317924D+01  0.487897D+02  0.166997D+01  0.107529D+02  0.642282D+01
      3  -0.152896D+01  0.353672D+02  0.756810D+01  0.674547D+01  0.118580D+02
      4   0.676597D+01 -0.166549D+02  0.278156D+02 -0.448365D+01 -0.730732D+01
      5   0.341898D+01 -0.171157D+02 -0.467270D+01  0.110180D+02 -0.931726D+01
      6   0.334651D+01  0.521683D+00  0.354970D+01 -0.454461D+01 -0.401236D+00
               221           222           223           224           225 
      1   0.177358D+02 -0.162865D+02 -0.128282D+02 -0.108333D+02  0.108734D+02
      2  -0.102766D+02  0.126921D+02  0.372720D+01  0.942620D+01 -0.952870D+01
      3  -0.745918D+01  0.359446D+01  0.910100D+01  0.140711D+01 -0.134474D+01
      4   0.498897D+01 -0.169385D+02 -0.807081D+01 -0.955720D+01  0.407991D+02
      5  -0.165638D+02  0.652189D+02 -0.200757D+02  0.411758D+02  0.314254D+02
      6   0.827673D+01 -0.238948D+02  0.121392D+02 -0.168015D+02 -0.595227D+01
               226           227           228           229           230 
      1  -0.718362D+01  0.173650D+02  0.154159D+01  0.803449D+01 -0.534434D+02
      2   0.873593D+01 -0.195938D+02 -0.160931D+01 -0.882865D+01  0.673709D+02
      3  -0.155231D+01  0.222890D+01  0.677212D-01  0.794162D+00 -0.139275D+02
      4  -0.203236D+01  0.522142D+01  0.743298D+00  0.242953D+01  0.127572D+02
      5  -0.811383D+00  0.134832D+01  0.138090D+01  0.263446D+00 -0.699173D+00
      6   0.784762D+00 -0.129675D+01 -0.223536D+01 -0.147770D+01  0.830566D+01
               231           232           233           234           235 
      1  -0.772280D+01  0.824664D-01 -0.699453D+01 -0.148696D+01  0.261136D+02
      2   0.764178D+01 -0.695471D+00  0.839873D+01  0.227957D+01 -0.316903D+01
      3   0.810145D-01  0.613005D+00 -0.140420D+01 -0.792612D+00 -0.229446D+02
      4   0.152027D+01 -0.145567D+00  0.276950D+01 -0.702327D+00  0.457132D+02
      5   0.110469D+01  0.230278D+01 -0.469175D+00  0.304533D+00  0.109465D+02
      6   0.797900D+01  0.370261D+00  0.397723D+01  0.168633D+01  0.672832D+01
               236           237           238           239           240 
      1   0.144378D+02  0.455808D+01  0.115481D+02  0.254307D+01  0.902391D+00
      2   0.350318D+01 -0.930381D+00  0.102614D+02  0.216171D+02  0.291590D+01
      3  -0.179410D+02 -0.362770D+01 -0.218095D+02 -0.241601D+02 -0.381829D+01
      4   0.397751D+02  0.103673D+02  0.469707D+02  0.572002D+02  0.129980D+02
      5   0.802578D+01  0.784917D+01  0.998949D+01  0.999730D+01  0.822266D+01
      6   0.577812D+01  0.469994D+01  0.833187D+01  0.101209D+02  0.771757D+01
               241           242           243           244           245 
      1   0.562394D+01  0.211713D+01 -0.483664D+00  0.130316D+02 -0.109441D+02
      2   0.161085D+01  0.326948D+01  0.201225D+01 -0.410875D+01  0.321642D+01
      3  -0.723479D+01 -0.538661D+01 -0.152859D+01 -0.892284D+01  0.772768D+01
      4   0.140639D+02  0.139981D+02  0.611005D+01 -0.185264D+02  0.150240D+02
      5   0.184564D+01  0.434542D+01  0.315207D+01 -0.198765D+01  0.121317D+01
      6   0.696559D+00  0.437135D+01  0.269407D+01  0.370647D+00  0.273166D-01
               246           247           248           249           250 
      1  -0.509317D+00 -0.117361D+02 -0.311915D+01 -0.107824D+01 -0.529602D+00
      2   0.984067D-01 -0.913845D+00  0.158329D+02  0.885439D+00 -0.328154D+00
      3   0.410911D+00  0.126499D+02 -0.127137D+02  0.192804D+00  0.857755D+00
      4   0.599478D+00  0.264266D+02 -0.387905D+02 -0.416429D+01  0.256788D+01
      5   0.136467D+01  0.363453D+01 -0.669215D+01 -0.437377D+01  0.673210D+00
      6  -0.499465D+00 -0.162212D+01  0.329855D+01  0.419343D+01 -0.184387D+01
               251           252           253           254           255 
      1  -0.185819D+01 -0.179746D+01  0.209173D+03 -0.387222D+01  0.183513D+02
      2   0.245426D+01  0.228772D+01 -0.109831D+03  0.658789D-01 -0.106810D+02
      3  -0.596076D+00 -0.490260D+00 -0.993427D+02  0.380634D+01 -0.767027D+01
      4  -0.541354D+01 -0.741279D+00 -0.215201D+02  0.150889D+02 -0.196935D+01
      5  -0.642567D-01 -0.435889D+00  0.208052D+02 -0.520455D+00  0.188110D+02
      6   0.168977D+01  0.121890D+01 -0.340193D+01  0.687461D+00 -0.236818D+01
               256           257           258           259           260 
      1   0.232046D+02  0.149429D+02  0.271658D+01  0.233758D+02  0.437200D+00
      2  -0.146105D+02 -0.741033D+01 -0.209891D+01 -0.138217D+02 -0.909834D+00
      3  -0.859413D+01 -0.753252D+01 -0.617663D+00 -0.955406D+01  0.472634D+00
      4   0.169710D+02  0.347371D+01  0.324599D+01 -0.275692D+01  0.367606D+01
      5   0.180231D+01  0.344207D+01  0.702473D+00  0.250982D+02 -0.356197D+01
      6   0.540420D+00 -0.489856D+00  0.161896D+01 -0.267085D+01  0.258993D+01
               261           262           263           264           265 
      1   0.168812D+02  0.734574D+01 -0.214937D+01 -0.893709D+01 -0.583136D+01
      2  -0.998733D+01 -0.411039D+01  0.161400D+01  0.346700D+01  0.100106D+01
      3  -0.689389D+01 -0.323535D+01  0.535377D+00  0.547009D+01  0.483031D+01
      4  -0.463939D+01  0.439986D+00 -0.136360D+01  0.394177D+01  0.192455D+02
      5   0.526146D+01 -0.853837D+01  0.282894D+01 -0.280254D+01  0.141115D+02
      6  -0.493962D+00  0.241465D+01 -0.649480D+00  0.228739D+01 -0.512596D+01
               266           267           268           269           270 
      1   0.248067D+01  0.388759D+01 -0.360850D+02  0.977545D+01  0.426390D+01
      2   0.241499D+01  0.671798D+00  0.209907D+02 -0.350935D+01 -0.840036D+01
      3  -0.489566D+01 -0.455939D+01  0.150943D+02 -0.626610D+01  0.413645D+01
      4  -0.198676D+02 -0.163097D+02  0.278394D+02 -0.216757D+02 -0.264845D+02
      5  -0.165304D+02 -0.248986D+02  0.385752D+02 -0.267617D+02 -0.659859D+02
      6   0.663558D+01  0.112581D+02 -0.118935D+02  0.114638D+02  0.178520D+02
               271           272           273           274           275 
      1  -0.509712D+01 -0.496178D+01  0.117332D+02 -0.104559D+02 -0.560964D+01
      2   0.232046D+01  0.444536D+01 -0.590429D+01  0.187992D+01  0.134941D+02
      3   0.277666D+01  0.516419D+00 -0.582893D+01  0.857600D+01 -0.788442D+01
      4   0.452434D+01 -0.745465D+01  0.382691D+01  0.254068D+02 -0.413672D+02
      5   0.529185D+01  0.455815D+01 -0.102054D+02 -0.117489D+02  0.261139D+02
      6  -0.838985D+00 -0.378199D+01  0.571591D+01  0.722788D+01 -0.154222D+02
               276           277           278           279 
      1   0.688076D+01  0.223128D+02  0.245977D+01 -0.819270D+01
      2  -0.826366D+01 -0.989306D+01 -0.452944D+01  0.186508D+01
      3   0.138290D+01 -0.124197D+02  0.206967D+01  0.632762D+01
      4   0.275315D+02 -0.192500D+02  0.271681D+02 -0.284206D+02
      5  -0.294573D+02  0.207750D+02 -0.279957D+02  0.345557D+02
      6   0.149996D+02 -0.961771D+01  0.150018D+02 -0.159968D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 21:16:41 2021, MaxMem=  5368709120 cpu:           81812.9 elap:           10233.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19565 -19.19429 -19.13364 -10.31673 -10.26343
 Alpha  occ. eigenvalues --  -10.25181 -10.21711 -10.21413 -10.21236 -10.20984
 Alpha  occ. eigenvalues --  -10.20661 -10.20590 -10.20418 -10.20348 -10.20256
 Alpha  occ. eigenvalues --  -10.19862 -10.19335  -1.10932  -1.09087  -1.02838
 Alpha  occ. eigenvalues --   -0.89910  -0.85503  -0.81245  -0.79161  -0.76485
 Alpha  occ. eigenvalues --   -0.74133  -0.71783  -0.67252  -0.64279  -0.62522
 Alpha  occ. eigenvalues --   -0.61823  -0.60555  -0.55170  -0.54055  -0.53334
 Alpha  occ. eigenvalues --   -0.51605  -0.48761  -0.48588  -0.47204  -0.46814
 Alpha  occ. eigenvalues --   -0.46426  -0.45176  -0.44186  -0.44118  -0.42643
 Alpha  occ. eigenvalues --   -0.41526  -0.41430  -0.40328  -0.39237  -0.38072
 Alpha  occ. eigenvalues --   -0.37647  -0.37361  -0.36098  -0.35558  -0.34354
 Alpha  occ. eigenvalues --   -0.32348  -0.32166  -0.30640  -0.27621  -0.25212
 Alpha  occ. eigenvalues --   -0.22933
 Alpha virt. eigenvalues --   -0.06063  -0.03314  -0.01884  -0.01326  -0.00804
 Alpha virt. eigenvalues --   -0.00467  -0.00033   0.00816   0.01095   0.01524
 Alpha virt. eigenvalues --    0.01897   0.02141   0.02660   0.02842   0.03737
 Alpha virt. eigenvalues --    0.04650   0.05071   0.05400   0.05669   0.06095
 Alpha virt. eigenvalues --    0.06455   0.06594   0.07218   0.07634   0.07861
 Alpha virt. eigenvalues --    0.08222   0.08266   0.08487   0.08879   0.09291
 Alpha virt. eigenvalues --    0.09412   0.09669   0.09759   0.10122   0.10699
 Alpha virt. eigenvalues --    0.10895   0.11160   0.11614   0.11763   0.11863
 Alpha virt. eigenvalues --    0.12196   0.12522   0.12766   0.13088   0.13113
 Alpha virt. eigenvalues --    0.13393   0.13857   0.14102   0.14303   0.14900
 Alpha virt. eigenvalues --    0.15072   0.15634   0.16079   0.16448   0.16702
 Alpha virt. eigenvalues --    0.17598   0.18197   0.18621   0.18741   0.19055
 Alpha virt. eigenvalues --    0.19348   0.19523   0.19729   0.19793   0.20268
 Alpha virt. eigenvalues --    0.20985   0.21317   0.21804   0.21812   0.22539
 Alpha virt. eigenvalues --    0.22668   0.23060   0.23183   0.23361   0.23961
 Alpha virt. eigenvalues --    0.24414   0.24692   0.24838   0.25457   0.25548
 Alpha virt. eigenvalues --    0.25794   0.25960   0.26735   0.26884   0.27152
 Alpha virt. eigenvalues --    0.27594   0.27666   0.28207   0.28275   0.28805
 Alpha virt. eigenvalues --    0.29110   0.29480   0.29549   0.29954   0.30165
 Alpha virt. eigenvalues --    0.30392   0.30866   0.31352   0.31433   0.31682
 Alpha virt. eigenvalues --    0.32329   0.32499   0.32969   0.33117   0.33426
 Alpha virt. eigenvalues --    0.33731   0.34613   0.34817   0.35417   0.35614
 Alpha virt. eigenvalues --    0.36323   0.36616   0.36718   0.37512   0.37835
 Alpha virt. eigenvalues --    0.38026   0.38522   0.38689   0.39171   0.39441
 Alpha virt. eigenvalues --    0.39974   0.40456   0.40676   0.41395   0.41848
 Alpha virt. eigenvalues --    0.42529   0.42720   0.43391   0.43682   0.44348
 Alpha virt. eigenvalues --    0.44805   0.45733   0.46418   0.46724   0.46840
 Alpha virt. eigenvalues --    0.47435   0.47836   0.48759   0.48966   0.49362
 Alpha virt. eigenvalues --    0.49998   0.50492   0.50740   0.51044   0.51699
 Alpha virt. eigenvalues --    0.52365   0.52787   0.53080   0.53326   0.53691
 Alpha virt. eigenvalues --    0.54160   0.54560   0.54718   0.55529   0.55839
 Alpha virt. eigenvalues --    0.56410   0.57389   0.57499   0.57823   0.58178
 Alpha virt. eigenvalues --    0.58625   0.58842   0.59508   0.59756   0.59761
 Alpha virt. eigenvalues --    0.60040   0.60539   0.60973   0.61886   0.62206
 Alpha virt. eigenvalues --    0.62508   0.62563   0.63236   0.63794   0.63970
 Alpha virt. eigenvalues --    0.64512   0.65088   0.65443   0.65828   0.65937
 Alpha virt. eigenvalues --    0.66824   0.67117   0.67314   0.68020   0.68730
 Alpha virt. eigenvalues --    0.69151   0.69986   0.70205   0.70603   0.70879
 Alpha virt. eigenvalues --    0.71266   0.72495   0.72853   0.73266   0.73972
 Alpha virt. eigenvalues --    0.74126   0.74516   0.74919   0.75310   0.75552
 Alpha virt. eigenvalues --    0.75825   0.76212   0.76748   0.77125   0.77858
 Alpha virt. eigenvalues --    0.78426   0.78910   0.79869   0.80340   0.80514
 Alpha virt. eigenvalues --    0.81292   0.82459   0.82815   0.83092   0.83967
 Alpha virt. eigenvalues --    0.84411   0.84784   0.85526   0.85759   0.86871
 Alpha virt. eigenvalues --    0.87546   0.88382   0.88868   0.90286   0.91123
 Alpha virt. eigenvalues --    0.91845   0.92866   0.93333   0.94025   0.94808
 Alpha virt. eigenvalues --    0.95196   0.97295   0.98675   0.98795   0.99473
 Alpha virt. eigenvalues --    1.00918   1.01529   1.02100   1.02824   1.04317
 Alpha virt. eigenvalues --    1.04687   1.05817   1.06344   1.07194   1.08378
 Alpha virt. eigenvalues --    1.09118   1.10730   1.11973   1.13119   1.14444
 Alpha virt. eigenvalues --    1.15748   1.16020   1.16896   1.17149   1.18394
 Alpha virt. eigenvalues --    1.18986   1.20280   1.20594   1.21487   1.22306
 Alpha virt. eigenvalues --    1.22775   1.23951   1.25094   1.26940   1.27903
 Alpha virt. eigenvalues --    1.29104   1.29623   1.30039   1.31741   1.32719
 Alpha virt. eigenvalues --    1.33042   1.33625   1.34971   1.36060   1.37179
 Alpha virt. eigenvalues --    1.37672   1.39218   1.39946   1.40455   1.40544
 Alpha virt. eigenvalues --    1.41723   1.42140   1.42828   1.43192   1.43628
 Alpha virt. eigenvalues --    1.45044   1.45592   1.46463   1.46968   1.47966
 Alpha virt. eigenvalues --    1.49235   1.50321   1.51036   1.51162   1.51683
 Alpha virt. eigenvalues --    1.52789   1.53596   1.54265   1.54421   1.55588
 Alpha virt. eigenvalues --    1.56911   1.57993   1.58462   1.58670   1.59866
 Alpha virt. eigenvalues --    1.60282   1.61094   1.61967   1.62552   1.62716
 Alpha virt. eigenvalues --    1.63281   1.64316   1.65312   1.65878   1.67265
 Alpha virt. eigenvalues --    1.67378   1.68638   1.68848   1.70180   1.70641
 Alpha virt. eigenvalues --    1.71848   1.72539   1.73376   1.74060   1.75360
 Alpha virt. eigenvalues --    1.76283   1.76984   1.77977   1.78131   1.79570
 Alpha virt. eigenvalues --    1.80519   1.80934   1.82817   1.83887   1.84543
 Alpha virt. eigenvalues --    1.85480   1.86756   1.86962   1.88069   1.88643
 Alpha virt. eigenvalues --    1.89575   1.89800   1.90339   1.91761   1.93172
 Alpha virt. eigenvalues --    1.93494   1.94627   1.95473   1.96173   1.96876
 Alpha virt. eigenvalues --    1.97795   1.98308   1.98772   2.00181   2.01253
 Alpha virt. eigenvalues --    2.01831   2.02346   2.03200   2.03972   2.04952
 Alpha virt. eigenvalues --    2.05201   2.06166   2.07453   2.07811   2.08570
 Alpha virt. eigenvalues --    2.10133   2.10523   2.11444   2.12538   2.13366
 Alpha virt. eigenvalues --    2.14305   2.15981   2.16217   2.17584   2.18070
 Alpha virt. eigenvalues --    2.19280   2.20499   2.21954   2.23442   2.24043
 Alpha virt. eigenvalues --    2.25392   2.26228   2.28906   2.30421   2.30878
 Alpha virt. eigenvalues --    2.32132   2.32919   2.33661   2.34893   2.36319
 Alpha virt. eigenvalues --    2.37266   2.39023   2.40372   2.41968   2.42397
 Alpha virt. eigenvalues --    2.44011   2.46289   2.48941   2.50412   2.51671
 Alpha virt. eigenvalues --    2.52869   2.54698   2.57841   2.58771   2.60565
 Alpha virt. eigenvalues --    2.61450   2.63056   2.63598   2.65761   2.69391
 Alpha virt. eigenvalues --    2.69893   2.72300   2.72905   2.75081   2.78908
 Alpha virt. eigenvalues --    2.80130   2.81908   2.83860   2.87698   2.88375
 Alpha virt. eigenvalues --    2.92311   2.95200   2.98751   3.03872   3.05789
 Alpha virt. eigenvalues --    3.07733   3.18568   3.28262   3.30186   3.34052
 Alpha virt. eigenvalues --    3.36898   3.38756   3.39956   3.40232   3.41683
 Alpha virt. eigenvalues --    3.43930   3.44878   3.47781   3.49969   3.50035
 Alpha virt. eigenvalues --    3.50952   3.53359   3.57026   3.65948   3.68983
 Alpha virt. eigenvalues --    3.72003   3.77623   3.80396   3.87609   4.01767
 Alpha virt. eigenvalues --    4.34156   4.61846
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   33.876654  -5.117652 -11.400099   2.252795  -3.047946   0.956163
     2  C   -5.117652  26.350038   3.488380  -2.501758   1.627179  -7.588585
     3  C  -11.400099   3.488380  35.548021 -10.567825  -2.068976  -0.058668
     4  C    2.252795  -2.501758 -10.567825  24.067880  -7.574831   0.534676
     5  C   -3.047946   1.627179  -2.068976  -7.574831  30.931139 -13.432416
     6  C    0.956163  -7.588585  -0.058668   0.534676 -13.432416  31.745145
     7  C  -15.258132   2.611676  -5.963166   2.332986  -3.339089   3.678650
     8  H    1.245429  -1.115607  -5.741414   1.500774   0.580335  -0.127375
     9  H   -0.040418  -0.449694   0.345539   0.651511  -3.849734   2.127370
    10  H   -0.944097   0.577519  -0.170888  -0.341312   3.067333  -4.725420
    11  C    0.400033  -0.586182  -1.714991  -2.077391  -2.302522  -0.063694
    12  C    0.060201   0.113768  -0.385861  -0.082526  -0.139469  -0.124247
    13  C    0.035637  -0.156203  -0.593154  -0.198624   0.051097  -0.048538
    14  H   -0.098493  -0.093449   0.167107  -0.194612   0.172551   0.124496
    15  H    0.062984  -0.052519  -0.005964  -0.791196  -0.019516   0.026179
    16  H   -0.041388   0.001327   0.391021  -0.428397  -0.026294   0.028334
    17  H   -0.054981   0.038310  -0.126239   0.763755   0.021014  -0.039097
    18  O   -0.011902   0.013839   0.053378   0.023765   0.015534  -0.007939
    19  O   -0.004960   0.020348   0.039578  -0.118811  -0.000666  -0.014751
    20  H    0.018236  -0.077782   0.003921   0.030954  -0.108834   0.084488
    21  C    6.561930  -7.753859   1.192946  -0.550002   1.565677  -2.153622
    22  C   -7.307941   1.367674  -0.829619   0.602026   0.070615   1.051546
    23  C    2.980439  -5.539839   1.738544  -1.826093   3.616062  -7.353434
    24  O    0.164840   0.112929  -0.011303   0.031429  -0.030219  -0.086940
    25  C   -0.406532   0.098855  -0.026111   0.001855   0.035856   0.059780
    26  H    2.185618  -0.685298   0.457321  -0.039543   0.060795  -0.166790
    27  H   -0.585618   0.301172  -0.142911   0.023574   0.012275   0.055052
    28  H   -0.510925   0.353753   0.047529  -0.063695   0.202159   0.252362
    29  H    0.037366  -0.172755  -0.001784  -0.002211   0.009765   0.019251
    30  H   -0.032344   0.128191  -0.002604   0.005431  -0.020887  -0.006894
    31  H   -0.052693   0.119753   0.000761   0.003138  -0.012848  -0.003811
               7          8          9         10         11         12
     1  C  -15.258132   1.245429  -0.040418  -0.944097   0.400033   0.060201
     2  C    2.611676  -1.115607  -0.449694   0.577519  -0.586182   0.113768
     3  C   -5.963166  -5.741414   0.345539  -0.170888  -1.714991  -0.385861
     4  C    2.332986   1.500774   0.651511  -0.341312  -2.077391  -0.082526
     5  C   -3.339089   0.580335  -3.849734   3.067333  -2.302522  -0.139469
     6  C    3.678650  -0.127375   2.127370  -4.725420  -0.063694  -0.124247
     7  C   42.240424   0.978031   0.140393  -0.266176  -0.116601   0.008290
     8  H    0.978031   5.147440  -0.042994   0.006886  -0.004067   0.162382
     9  H    0.140393  -0.042994   4.041986  -0.388728  -0.063039   0.015699
    10  H   -0.266176   0.006886  -0.388728   3.948963   0.077019   0.008317
    11  C   -0.116601  -0.004067  -0.063039   0.077019  15.030719  -0.215545
    12  C    0.008290   0.162382   0.015699   0.008317  -0.215545   5.217402
    13  C    0.089873   0.155622  -0.005201   0.003079  -0.951538  -0.159643
    14  H    0.032137   0.010332  -0.069084   0.009626  -1.374210   0.144317
    15  H    0.019063  -0.083551   0.001723   0.001506   1.004251  -0.182795
    16  H   -0.024907  -0.147456  -0.001993   0.002131  -0.330428   0.428660
    17  H    0.006777   0.041594   0.003797  -0.000892  -0.192483  -0.181614
    18  O   -0.005238  -0.001052  -0.003398   0.000191  -0.121480   0.104694
    19  O   -0.007439  -0.005280   0.000119  -0.000178   0.150399   0.053532
    20  H    0.038057  -0.030916   0.007283  -0.002365   0.017850  -0.033840
    21  C  -20.484593   0.194652   0.022870   0.047750   0.003162  -0.043966
    22  C    8.091047   0.095979  -0.036908   0.224402   0.005164   0.028628
    23  C   -7.102915  -0.174036  -0.268882   1.208386  -0.204012  -0.007555
    24  O   -0.227814   0.000077  -0.000285   0.002766   0.000134  -0.000128
    25  C    0.582435   0.000884  -0.000792   0.015116   0.000441   0.000048
    26  H   -5.884848  -0.361363   0.008342  -0.008724   0.045718  -0.013799
    27  H    2.251692  -0.002744  -0.002039   0.009326   0.000935   0.000426
    28  H   -0.216762   0.012519   0.014737  -0.292367  -0.006116  -0.001370
    29  H   -0.015831   0.000302   0.000186  -0.001784  -0.000028  -0.000026
    30  H    0.042900  -0.000544  -0.000678   0.003896   0.000302   0.000041
    31  H    0.053325  -0.000504  -0.000539   0.003392   0.000021   0.000130
              13         14         15         16         17         18
     1  C    0.035637  -0.098493   0.062984  -0.041388  -0.054981  -0.011902
     2  C   -0.156203  -0.093449  -0.052519   0.001327   0.038310   0.013839
     3  C   -0.593154   0.167107  -0.005964   0.391021  -0.126239   0.053378
     4  C   -0.198624  -0.194612  -0.791196  -0.428397   0.763755   0.023765
     5  C    0.051097   0.172551  -0.019516  -0.026294   0.021014   0.015534
     6  C   -0.048538   0.124496   0.026179   0.028334  -0.039097  -0.007939
     7  C    0.089873   0.032137   0.019063  -0.024907   0.006777  -0.005238
     8  H    0.155622   0.010332  -0.083551  -0.147456   0.041594  -0.001052
     9  H   -0.005201  -0.069084   0.001723  -0.001993   0.003797  -0.003398
    10  H    0.003079   0.009626   0.001506   0.002131  -0.000892   0.000191
    11  C   -0.951538  -1.374210   1.004251  -0.330428  -0.192483  -0.121480
    12  C   -0.159643   0.144317  -0.182795   0.428660  -0.181614   0.104694
    13  C    7.430861   0.143756   0.041331  -0.044368   0.027177  -0.013000
    14  H    0.143756   2.442545  -0.027791   0.138343  -0.099405   0.076966
    15  H    0.041331  -0.027791   2.137667  -0.271410  -0.540126  -0.002032
    16  H   -0.044368   0.138343  -0.271410   1.890981  -0.541746   0.027051
    17  H    0.027177  -0.099405  -0.540126  -0.541746   2.305677  -0.008782
    18  O   -0.013000   0.076966  -0.002032   0.027051  -0.008782   8.487016
    19  O   -0.404746   0.033280   0.001452   0.047081  -0.024429  -0.048820
    20  H   -0.006431   0.005881   0.004865  -0.001087  -0.000715   0.005785
    21  C    0.040865  -0.003951  -0.014717  -0.011546   0.005003  -0.000381
    22  C   -0.018264   0.001579   0.005817   0.000201  -0.001092   0.000064
    23  C   -0.073808  -0.018389  -0.009508   0.000511   0.001780   0.003230
    24  O    0.000070  -0.000030   0.000028   0.000014  -0.000012  -0.000000
    25  C   -0.000188   0.000125   0.000101   0.000002  -0.000032   0.000001
    26  H   -0.002760  -0.003474   0.004469  -0.000473  -0.001321  -0.000145
    27  H    0.000103   0.000127  -0.000404  -0.000009   0.000231   0.000015
    28  H    0.000932  -0.001103  -0.000849  -0.000658   0.000375   0.000016
    29  H    0.000006  -0.000007   0.000003  -0.000003  -0.000003   0.000000
    30  H   -0.000040   0.000061   0.000019   0.000009  -0.000002  -0.000001
    31  H   -0.000069   0.000026   0.000017   0.000012   0.000002   0.000000
              19         20         21         22         23         24
     1  C   -0.004960   0.018236   6.561930  -7.307941   2.980439   0.164840
     2  C    0.020348  -0.077782  -7.753859   1.367674  -5.539839   0.112929
     3  C    0.039578   0.003921   1.192946  -0.829619   1.738544  -0.011303
     4  C   -0.118811   0.030954  -0.550002   0.602026  -1.826093   0.031429
     5  C   -0.000666  -0.108834   1.565677   0.070615   3.616062  -0.030219
     6  C   -0.014751   0.084488  -2.153622   1.051546  -7.353434  -0.086940
     7  C   -0.007439   0.038057 -20.484593   8.091047  -7.102915  -0.227814
     8  H   -0.005280  -0.030916   0.194652   0.095979  -0.174036   0.000077
     9  H    0.000119   0.007283   0.022870  -0.036908  -0.268882  -0.000285
    10  H   -0.000178  -0.002365   0.047750   0.224402   1.208386   0.002766
    11  C    0.150399   0.017850   0.003162   0.005164  -0.204012   0.000134
    12  C    0.053532  -0.033840  -0.043966   0.028628  -0.007555  -0.000128
    13  C   -0.404746  -0.006431   0.040865  -0.018264  -0.073808   0.000070
    14  H    0.033280   0.005881  -0.003951   0.001579  -0.018389  -0.000030
    15  H    0.001452   0.004865  -0.014717   0.005817  -0.009508   0.000028
    16  H    0.047081  -0.001087  -0.011546   0.000201   0.000511   0.000014
    17  H   -0.024429  -0.000715   0.005003  -0.001092   0.001780  -0.000012
    18  O   -0.048820   0.005785  -0.000381   0.000064   0.003230  -0.000000
    19  O    8.554554   0.136918  -0.003950   0.001776   0.000521  -0.000020
    20  H    0.136918   0.768608  -0.007078   0.005291  -0.017766   0.000100
    21  C   -0.003950  -0.007078  33.409982  -9.298538   4.019445  -0.039565
    22  C    0.001776   0.005291  -9.298538  19.494344  -7.695340  -0.932510
    23  C    0.000521  -0.017766   4.019445  -7.695340  23.485449   0.661376
    24  O   -0.000020   0.000100  -0.039565  -0.932510   0.661376   9.351503
    25  C    0.000036  -0.000000  -0.543423   0.213041  -0.266820   0.202726
    26  H    0.000398  -0.000352   3.432492  -1.179952   0.443953  -0.004735
    27  H   -0.000027  -0.000051  -3.938107   1.441336  -0.351962  -0.139176
    28  H    0.000081  -0.000627   0.483466   1.239934  -3.564784  -0.206191
    29  H    0.000008  -0.000029   0.031188   0.303583  -0.001381  -0.460593
    30  H   -0.000015   0.000108  -0.061394  -0.093329   0.018447   0.120048
    31  H   -0.000000  -0.000021  -0.052035  -0.064552  -0.010245   0.114417
              25         26         27         28         29         30
     1  C   -0.406532   2.185618  -0.585618  -0.510925   0.037366  -0.032344
     2  C    0.098855  -0.685298   0.301172   0.353753  -0.172755   0.128191
     3  C   -0.026111   0.457321  -0.142911   0.047529  -0.001784  -0.002604
     4  C    0.001855  -0.039543   0.023574  -0.063695  -0.002211   0.005431
     5  C    0.035856   0.060795   0.012275   0.202159   0.009765  -0.020887
     6  C    0.059780  -0.166790   0.055052   0.252362   0.019251  -0.006894
     7  C    0.582435  -5.884848   2.251692  -0.216762  -0.015831   0.042900
     8  H    0.000884  -0.361363  -0.002744   0.012519   0.000302  -0.000544
     9  H   -0.000792   0.008342  -0.002039   0.014737   0.000186  -0.000678
    10  H    0.015116  -0.008724   0.009326  -0.292367  -0.001784   0.003896
    11  C    0.000441   0.045718   0.000935  -0.006116  -0.000028   0.000302
    12  C    0.000048  -0.013799   0.000426  -0.001370  -0.000026   0.000041
    13  C   -0.000188  -0.002760   0.000103   0.000932   0.000006  -0.000040
    14  H    0.000125  -0.003474   0.000127  -0.001103  -0.000007   0.000061
    15  H    0.000101   0.004469  -0.000404  -0.000849   0.000003   0.000019
    16  H    0.000002  -0.000473  -0.000009  -0.000658  -0.000003   0.000009
    17  H   -0.000032  -0.001321   0.000231   0.000375  -0.000003  -0.000002
    18  O    0.000001  -0.000145   0.000015   0.000016   0.000000  -0.000001
    19  O    0.000036   0.000398  -0.000027   0.000081   0.000008  -0.000015
    20  H   -0.000000  -0.000352  -0.000051  -0.000627  -0.000029   0.000108
    21  C   -0.543423   3.432492  -3.938107   0.483466   0.031188  -0.061394
    22  C    0.213041  -1.179952   1.441336   1.239934   0.303583  -0.093329
    23  C   -0.266820   0.443953  -0.351962  -3.564784  -0.001381   0.018447
    24  O    0.202726  -0.004735  -0.139176  -0.206191  -0.460593   0.120048
    25  C    4.089356  -0.014501   0.060876  -0.025995   0.059699   0.280804
    26  H   -0.014501   4.140478  -0.272768   0.012161   0.000034  -0.001641
    27  H    0.060876  -0.272768   3.294502  -0.059517  -0.013605   0.012743
    28  H   -0.025995   0.012161  -0.059517   4.714564   0.065078  -0.101303
    29  H    0.059699   0.000034  -0.013605   0.065078   2.970482  -0.602210
    30  H    0.280804  -0.001641   0.012743  -0.101303  -0.602210   1.648000
    31  H    0.280200  -0.001527   0.013083  -0.095729  -0.603723  -0.147992
              31
     1  C   -0.052693
     2  C    0.119753
     3  C    0.000761
     4  C    0.003138
     5  C   -0.012848
     6  C   -0.003811
     7  C    0.053325
     8  H   -0.000504
     9  H   -0.000539
    10  H    0.003392
    11  C    0.000021
    12  C    0.000130
    13  C   -0.000069
    14  H    0.000026
    15  H    0.000017
    16  H    0.000012
    17  H    0.000002
    18  O    0.000000
    19  O   -0.000000
    20  H   -0.000021
    21  C   -0.052035
    22  C   -0.064552
    23  C   -0.010245
    24  O    0.114417
    25  C    0.280200
    26  H   -0.001527
    27  H    0.013083
    28  H   -0.095729
    29  H   -0.603723
    30  H   -0.147992
    31  H    1.650344
 Mulliken charges:
               1
     1  C    0.077797
     2  C    0.566473
     3  C    2.337531
     4  C    0.532280
     5  C   -0.065140
     6  C    1.258730
     7  C    1.715754
     8  H   -1.294336
     9  H   -1.157149
    10  H   -1.074676
    11  C   -0.411818
    12  C    1.225850
    13  C    0.656167
    14  H   -0.519254
    15  H   -0.309101
    16  H   -0.083515
    17  H   -0.402522
    18  O   -0.587377
    19  O   -0.405989
    20  H    0.159549
    21  C   -0.050702
    22  C   -0.786003
    23  C    2.308626
    24  O   -0.622934
    25  C    1.302157
    26  H   -1.147765
    27  H   -0.968529
    28  H   -1.251674
    29  H   -0.620977
    30  H   -0.189120
    31  H   -0.192333
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.077797
     2  C    0.566473
     3  C    1.043195
     4  C    0.532280
     5  C   -1.222288
     6  C    0.184054
     7  C    0.567988
    11  C   -0.931073
    12  C    0.430712
    13  C    0.656167
    18  O   -0.587377
    19  O   -0.246440
    21  C   -1.019231
    22  C   -0.786003
    23  C    1.056952
    24  O   -0.622934
    25  C    0.299727
 Electronic spatial extent (au):  <R**2>=           5438.5144
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.4314    Y=              0.3224    Z=             -1.9841  Tot=              5.7914
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -116.7345   YY=            -92.3101   ZZ=           -105.6486
   XY=            -13.8122   XZ=             10.3208   YZ=              3.0009
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -11.8368   YY=             12.5876   ZZ=             -0.7508
   XY=            -13.8122   XZ=             10.3208   YZ=              3.0009
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            219.3029  YYY=             -0.6414  ZZZ=              4.2050  XYY=              9.1973
  XXY=             -0.9422  XXZ=            -44.8174  XZZ=              3.8225  YZZ=             -0.1752
  YYZ=              1.8413  XYZ=             -5.7408
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6414.0371 YYYY=           -790.3698 ZZZZ=           -426.0939 XXXY=           -375.8264
 XXXZ=            195.7370 YYYX=             19.0217 YYYZ=             16.6090 ZZZX=              9.2163
 ZZZY=             -4.8580 XXYY=          -1089.3730 XXZZ=          -1116.2303 YYZZ=           -215.3906
 XXYZ=             28.1006 YYXZ=              5.5258 ZZXY=             -8.6433
 N-N= 1.136343527858D+03 E-N=-4.060560156586D+03  KE= 7.634287223560D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 21:16:42 2021, MaxMem=  5368709120 cpu:               5.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -8.0683   -8.0697        4.5155    4.5216
 2      8.0683    8.0697       -4.4435   -4.4431      -67.2481  -67.2544
 3     -4.5154   -4.5216       95.5354   95.5362        4.4400    4.4431
 4      4.4435    4.4431       -0.0000    0.0000       -4.5201   -4.5216
 5    -28.2873  -28.2818        4.5201    4.5216       -8.0647   -8.0697
 6     -4.4400   -4.4431        8.0647    8.0697       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       24.2090   24.2090       13.5649   13.5649
 2     13.3293   13.3293        0.0000    0.0000       13.5649   13.5649
 3     13.3293   13.3293       24.2090   24.2090        0.0000    0.0000
 4     24.2090   24.2090      -13.3293  -13.3293     -201.7633 -201.7633
 5    -13.5649  -13.5649      286.6086  286.6086       13.3293   13.3293
 6    -84.8453  -84.8453       13.5649   13.5649      -24.2090  -24.2090
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0084    0.0000       32.0797   32.2787      -18.4038  -18.0866
 2    -32.4551  -32.2787       17.5481   17.7725      268.9376  269.0178
 3     18.3022   18.0866     -382.2981 -382.1448      -17.8153  -17.7725
 4    -17.8872  -17.7725       -0.0278    0.0000       18.0209   18.0866
 5    113.2569  113.1270      -17.9676  -18.0866       32.6661   32.2787
 6     17.5065   17.7725      -32.6468  -32.2787       -0.0808    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2114    0.0000       46.6933   46.8656      -39.4574  -39.3919
 2    -46.9349  -46.8656      -77.1644  -76.4188      -38.7160  -38.5585
 3     39.6497   39.3919      -38.9608  -39.3792       76.3048   76.4188
 4     76.2138   76.4188       -0.0013    0.0000       39.5032   39.3919
 5     77.4926   77.9377      -40.0070  -39.3919       46.9538   46.8656
 6    -76.5249  -76.4188      -46.8449  -46.8656       -0.1316    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     46.8525   47.0398       53.0222   53.2644       56.9581   56.9214
 2    171.4556  171.5803       56.9754   57.1171       57.1735   56.9214
 3    171.4044  171.5803       53.0231   53.2644       91.7929   91.5692
 4     -3.7085   -3.8527     -125.0161 -124.5405      -56.7098  -56.5733
 5     34.6184   34.6478      -76.2555  -75.9905      124.4378  124.5405
 6    132.0763  132.5638      -36.0176  -34.6478        3.6361    3.8527
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      4.3801                 2.0266                 1.6551
  Dep-P Fr= 1--      0.7481                 0.7375                 0.7405
  Dep-U Fr= 1--      0.8559                 0.8489                 0.8509
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.6248                 0.2867                 0.2347
 AlphaG Fr= 1--     -0.0007                -0.0064                 0.0091
 Gamma2 Fr= 1--     -2.9962                 2.4756                -1.9998
 Delta2 Fr= 1--     -1.8804                 1.6788                -0.6543
 Raman1 Fr= 1--      17.520                  8.107                  6.620
 ROA1   Fr= 1--    -347.804                291.379               -212.917
 CID1   Fr= 1--     -19.851                 35.944                -32.162
 Raman2 Fr= 1--       7.498                  3.441                  2.817
 ROA2   Fr= 1--     -56.865                 45.985                -42.760
 CID2   Fr= 1--      -7.584                 13.364                -15.182
 Raman3 Fr= 1--      14.995                  6.882                  5.633
 ROA3   Fr= 1--    -347.804                291.379               -212.917
 CID3   Fr= 1--     -23.194                 42.340                -37.798
 RC180  Fr= 1--       0.712                  0.698                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.8204                 0.2577                 0.5243
  Dep-P Fr= 1--      0.6871                 0.6164                 0.3891
  Dep-U Fr= 1--      0.8145                 0.7627                 0.5602
 Alpha2 Fr= 1--      0.0020                 0.0006                 0.0040
 Beta2  Fr= 1--      0.2471                 0.0328                 0.0490
 AlphaG Fr= 1--     -0.0045                -0.0081                -0.0207
 Gamma2 Fr= 1--      0.0426                 0.9748                -1.5155
 Delta2 Fr= 1--     -0.3499                 0.6243                -0.6104
 Raman1 Fr= 1--       7.281                  1.031                  2.097
 ROA1   Fr= 1--      -7.103                113.553               -165.024
 CID1   Fr= 1--      -0.975                110.140                -78.684
 Raman2 Fr= 1--       2.965                  0.393                  0.587
 ROA2   Fr= 1--       3.822                 18.400                -31.490
 CID2   Fr= 1--       1.289                 46.802                -53.604
 Raman3 Fr= 1--       5.931                  0.786                  1.175
 ROA3   Fr= 1--      -7.103                113.553               -165.024
 CID3   Fr= 1--      -1.198                144.414               -140.457
 RC180  Fr= 1--       0.629                  0.525                  0.120
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.6138                 8.3360                 1.7971
  Dep-P Fr= 1--      0.2092                 0.3297                 0.7443
  Dep-U Fr= 1--      0.3461                 0.4960                 0.8534
 Alpha2 Fr= 1--      0.0081                 0.0781                 0.0002
 Beta2  Fr= 1--      0.0354                 0.6890                 0.2556
 AlphaG Fr= 1--     -0.0146                 0.0505                -0.0036
 Gamma2 Fr= 1--      1.7830                -1.1206                 0.2371
 Delta2 Fr= 1--      0.0814                -0.5929                 0.3656
 Raman1 Fr= 1--       2.455                 33.344                  7.188
 ROA1   Fr= 1--     173.775               -126.550                 34.462
 CID1   Fr= 1--      70.783                 -3.795                  4.794
 Raman2 Fr= 1--       0.425                  8.269                  3.067
 ROA2   Fr= 1--      42.142                -22.151                  2.767
 CID2   Fr= 1--      99.201                 -2.679                  0.902
 Raman3 Fr= 1--       0.850                 16.537                  6.134
 ROA3   Fr= 1--     173.775               -126.550                 34.462
 CID3   Fr= 1--     204.530                 -7.653                  5.618
 RC180  Fr= 1--      -0.308                 -0.008                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      1.1325                 0.3763                 1.3380
  Dep-P Fr= 1--      0.5539                 0.6735                 0.6613
  Dep-U Fr= 1--      0.7129                 0.8049                 0.7961
 Alpha2 Fr= 1--      0.0042                 0.0005                 0.0021
 Beta2  Fr= 1--      0.1346                 0.0505                 0.1775
 AlphaG Fr= 1--     -0.0338                -0.0058                 0.0043
 Gamma2 Fr= 1--      0.9358                -0.2879                 1.3506
 Delta2 Fr= 1--     -0.1970                 0.0398                 0.3594
 Raman1 Fr= 1--       4.530                  1.505                  5.352
 ROA1   Fr= 1--      83.534                -26.363                141.156
 CID1   Fr= 1--      18.441                -17.513                 26.374
 Raman2 Fr= 1--       1.615                  0.606                  2.131
 ROA2   Fr= 1--      24.035                 -7.228                 29.538
 CID2   Fr= 1--      14.884                -11.930                 13.864
 Raman3 Fr= 1--       3.230                  1.212                  4.261
 ROA3   Fr= 1--      83.534                -26.363                141.156
 CID3   Fr= 1--      25.865                -21.758                 33.127
 RC180  Fr= 1--       0.426                  0.610                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--     11.6249                 2.0436                 2.4085
  Dep-P Fr= 1--      0.2676                 0.0835                 0.1212
  Dep-U Fr= 1--      0.4222                 0.1541                 0.2162
 Alpha2 Fr= 1--      0.1311                 0.0372                 0.0400
 Beta2  Fr= 1--      0.8180                 0.0525                 0.0868
 AlphaG Fr= 1--     -0.0611                 0.0815                 0.0925
 Gamma2 Fr= 1--     -2.7322                 0.7918                 0.6625
 Delta2 Fr= 1--     -0.2257                 0.1132                 0.3738
 Raman1 Fr= 1--      46.500                  8.174                  9.634
 ROA1   Fr= 1--    -269.520                 79.632                 75.559
 CID1   Fr= 1--      -5.796                  9.742                  7.843
 Raman2 Fr= 1--       9.817                  0.630                  1.041
 ROA2   Fr= 1--     -63.768                 18.096                 12.909
 CID2   Fr= 1--      -6.496                 28.737                 12.397
 Raman3 Fr= 1--      19.633                  1.259                  2.083
 ROA3   Fr= 1--    -269.520                 79.632                 75.559
 CID3   Fr= 1--     -13.728                 63.228                 36.280
 RC180  Fr= 1--      -0.156                 -0.692                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      3.0628                 3.0976                 0.1536
  Dep-P Fr= 1--      0.7488                 0.1445                 0.3769
  Dep-U Fr= 1--      0.8564                 0.2525                 0.5475
 Alpha2 Fr= 1--      0.0001                 0.0486                 0.0012
 Beta2  Fr= 1--      0.4371                 0.1304                 0.0140
 AlphaG Fr= 1--      0.0045                 0.1136                 0.0084
 Gamma2 Fr= 1--     -1.1381                 0.2133                -0.0951
 Delta2 Fr= 1--      0.0795                -0.2809                -0.0331
 Raman1 Fr= 1--      12.251                 12.391                  0.614
 ROA1   Fr= 1--    -106.714                 11.489                -10.192
 CID1   Fr= 1--      -8.710                  0.927                -16.588
 Raman2 Fr= 1--       5.246                  1.564                  0.168
 ROA2   Fr= 1--     -27.951                  7.367                 -2.019
 CID2   Fr= 1--      -5.328                  4.709                -12.004
 Raman3 Fr= 1--      10.492                  3.129                  0.336
 ROA3   Fr= 1--    -106.714                 11.489                -10.192
 CID3   Fr= 1--     -10.171                  3.672                -30.300
 RC180  Fr= 1--       0.713                 -0.495                  0.095
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.7907                 8.9851                14.2824
  Dep-P Fr= 1--      0.5431                 0.1512                 0.3858
  Dep-U Fr= 1--      0.7039                 0.2627                 0.5568
 Alpha2 Fr= 1--      0.0071                 0.1385                 0.1112
 Beta2  Fr= 1--      0.2101                 0.3934                 1.3254
 AlphaG Fr= 1--     -0.0186                -0.0697                 0.1263
 Gamma2 Fr= 1--     -0.9013                -0.6600                -0.0818
 Delta2 Fr= 1--     -0.0397                 0.7042                -0.2481
 Raman1 Fr= 1--       7.163                 35.940                 57.130
 ROA1   Fr= 1--     -87.797                -40.822                -15.787
 CID1   Fr= 1--     -12.257                 -1.136                 -0.276
 Raman2 Fr= 1--       2.521                  4.721                 15.905
 ROA2   Fr= 1--     -21.314                -21.473                  0.022
 CID2   Fr= 1--      -8.455                 -4.548                  0.001
 Raman3 Fr= 1--       5.042                  9.442                 31.809
 ROA3   Fr= 1--     -87.797                -40.822                -15.787
 CID3   Fr= 1--     -17.414                 -4.323                 -0.496
 RC180  Fr= 1--       0.408                 -0.475                  0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      2.4233                 1.1945                 1.3366
  Dep-P Fr= 1--      0.4634                 0.7191                 0.7300
  Dep-U Fr= 1--      0.6333                 0.8366                 0.8439
 Alpha2 Fr= 1--      0.0141                 0.0006                 0.0005
 Beta2  Fr= 1--      0.2558                 0.1665                 0.1880
 AlphaG Fr= 1--     -0.0721                -0.0636                -0.0008
 Gamma2 Fr= 1--      0.7075                -1.1555                 1.1192
 Delta2 Fr= 1--     -0.6142                 0.6187                 0.7046
 Raman1 Fr= 1--       9.693                  4.778                  5.347
 ROA1   Fr= 1--      48.266                -91.131                129.988
 CID1   Fr= 1--       4.979                -19.074                 24.313
 Raman2 Fr= 1--       3.070                  1.999                  2.256
 ROA2   Fr= 1--      21.893                -32.683                 21.223
 CID2   Fr= 1--       7.132                -16.353                  9.407
 Raman3 Fr= 1--       6.139                  3.997                  4.512
 ROA3   Fr= 1--      48.266                -91.131                129.988
 CID3   Fr= 1--       7.862                -22.799                 28.809
 RC180  Fr= 1--       0.267                  0.673                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.2996                 0.8429                 3.3111
  Dep-P Fr= 1--      0.6681                 0.2529                 0.1969
  Dep-U Fr= 1--      0.8010                 0.4037                 0.3290
 Alpha2 Fr= 1--      0.0004                 0.0099                 0.0453
 Beta2  Fr= 1--      0.0400                 0.0567                 0.1815
 AlphaG Fr= 1--     -0.0117                 0.0127                 0.0170
 Gamma2 Fr= 1--      0.8374                -0.4069                -1.8349
 Delta2 Fr= 1--      0.1168                -0.4274                -0.2764
 Raman1 Fr= 1--       1.198                  3.372                 13.245
 ROA1   Fr= 1--      84.129                -52.738               -184.994
 CID1   Fr= 1--      70.213                -15.642                -13.968
 Raman2 Fr= 1--       0.480                  0.680                  2.179
 ROA2   Fr= 1--      19.164                 -6.347                -41.826
 CID2   Fr= 1--      39.935                 -9.327                -19.199
 Raman3 Fr= 1--       0.960                  1.361                  4.357
 ROA3   Fr= 1--      84.129                -52.738               -184.994
 CID3   Fr= 1--      87.656                -38.751                -42.458
 RC180  Fr= 1--       0.602                 -0.193                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.4496                72.4059                 3.9054
  Dep-P Fr= 1--      0.7410                 0.0700                 0.0754
  Dep-U Fr= 1--      0.8512                 0.1309                 0.1403
 Alpha2 Fr= 1--      0.0002                 1.3634                 0.0726
 Beta2  Fr= 1--      0.2057                 1.5792                 0.0913
 AlphaG Fr= 1--     -0.0207                 0.1355                -0.1602
 Gamma2 Fr= 1--      3.1894                 1.6386                -0.3204
 Delta2 Fr= 1--     -0.4566                 0.4115                 0.0836
 Raman1 Fr= 1--       5.798                289.624                 15.622
 ROA1   Fr= 1--     291.568                170.478                -28.082
 CID1   Fr= 1--      50.284                  0.589                 -1.798
 Raman2 Fr= 1--       2.468                 18.950                  1.096
 ROA2   Fr= 1--      80.198                 36.035                 -8.359
 CID2   Fr= 1--      32.497                  1.902                 -7.629
 Raman3 Fr= 1--       4.936                 37.901                  2.191
 ROA3   Fr= 1--     291.568                170.478                -28.082
 CID3   Fr= 1--      59.073                  4.498                -12.815
 RC180  Fr= 1--       0.702                 -0.738                 -0.719
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      5.2164                 0.9780                 0.8876
  Dep-P Fr= 1--      0.6498                 0.5352                 0.6159
  Dep-U Fr= 1--      0.7878                 0.6972                 0.7623
 Alpha2 Fr= 1--      0.0094                 0.0041                 0.0022
 Beta2  Fr= 1--      0.6849                 0.1137                 0.1128
 AlphaG Fr= 1--     -0.0707                 0.0161                 0.0450
 Gamma2 Fr= 1--     -1.0164                 1.4209                 0.8088
 Delta2 Fr= 1--     -0.8532                -0.1113                 0.3639
 Raman1 Fr= 1--      20.866                  3.912                  3.551
 ROA1   Fr= 1--    -124.880                132.844                 89.287
 CID1   Fr= 1--      -5.985                 33.957                 25.148
 Raman2 Fr= 1--       8.219                  1.364                  1.353
 ROA2   Fr= 1--     -17.569                 34.992                 16.500
 CID2   Fr= 1--      -2.138                 25.658                 12.193
 Raman3 Fr= 1--      16.437                  2.728                  2.706
 ROA3   Fr= 1--    -124.880                132.844                 89.287
 CID3   Fr= 1--      -7.597                 48.704                 32.990
 RC180  Fr= 1--       0.576                  0.394                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     33.0994                 1.4637                 0.9573
  Dep-P Fr= 1--      0.1201                 0.6947                 0.6825
  Dep-U Fr= 1--      0.2144                 0.8198                 0.8113
 Alpha2 Fr= 1--      0.5515                 0.0014                 0.0011
 Beta2  Fr= 1--      1.1828                 0.2000                 0.1294
 AlphaG Fr= 1--      0.1526                 0.0498                -0.0151
 Gamma2 Fr= 1--     -0.2156                -0.9270                -0.5417
 Delta2 Fr= 1--     -0.6375                -0.2102                 0.0724
 Raman1 Fr= 1--     132.397                  5.855                  3.829
 ROA1   Fr= 1--     -41.096                -95.721                -49.686
 CID1   Fr= 1--      -0.310                -16.349                -12.975
 Raman2 Fr= 1--      14.194                  2.400                  1.553
 ROA2   Fr= 1--      -0.074                -20.568                -13.580
 CID2   Fr= 1--      -0.005                 -8.570                 -8.742
 Raman3 Fr= 1--      28.388                  4.800                  3.107
 ROA3   Fr= 1--     -41.096                -95.721                -49.686
 CID3   Fr= 1--      -1.448                -19.942                -15.993
 RC180  Fr= 1--      -0.571                  0.640                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.8496                 1.9763                 0.9920
  Dep-P Fr= 1--      0.7389                 0.7500                 0.4838
  Dep-U Fr= 1--      0.8499                 0.8571                 0.6521
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0053
 Beta2  Fr= 1--      0.1203                 0.2823                 0.1078
 AlphaG Fr= 1--      0.0050                -0.0006                 0.1075
 Gamma2 Fr= 1--      0.5138                 0.0219                 1.1743
 Delta2 Fr= 1--     -1.0618                 0.1529                 0.1858
 Raman1 Fr= 1--       3.398                  7.905                  3.968
 ROA1   Fr= 1--      15.351                  6.996                118.681
 CID1   Fr= 1--       4.517                  0.885                 29.908
 Raman2 Fr= 1--       1.444                  3.388                  1.294
 ROA2   Fr= 1--      20.826                 -0.697                 26.697
 CID2   Fr= 1--      14.422                 -0.206                 20.634
 Raman3 Fr= 1--       2.888                  6.776                  2.588
 ROA3   Fr= 1--      15.351                  6.996                118.681
 CID3   Fr= 1--       5.315                  1.032                 45.865
 RC180  Fr= 1--       0.700                  0.714                  0.304
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     22.0261                 2.9026                 3.1767
  Dep-P Fr= 1--      0.1311                 0.5094                 0.2674
  Dep-U Fr= 1--      0.2319                 0.6750                 0.4219
 Alpha2 Fr= 1--      0.3571                 0.0137                 0.0358
 Beta2  Fr= 1--      0.8513                 0.3265                 0.2234
 AlphaG Fr= 1--     -0.1932                 0.0326                -0.0007
 Gamma2 Fr= 1--     -0.5658                 0.1840                 0.5059
 Delta2 Fr= 1--     -0.1055                -2.8633                 0.2205
 Raman1 Fr= 1--      88.104                 11.610                 12.707
 ROA1   Fr= 1--     -57.693                -73.960                 55.619
 CID1   Fr= 1--      -0.655                 -6.370                  4.377
 Raman2 Fr= 1--      10.215                  3.918                  2.681
 ROA2   Fr= 1--     -12.735                 27.323                 10.376
 CID2   Fr= 1--      -1.247                  6.973                  3.871
 Raman3 Fr= 1--      20.430                  7.837                  5.361
 ROA3   Fr= 1--     -57.693                -73.960                 55.619
 CID3   Fr= 1--      -2.824                 -9.438                 10.374
 RC180  Fr= 1--      -0.536                  0.350                 -0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--     13.2378                 9.6308                 1.6014
  Dep-P Fr= 1--      0.5481                 0.1574                 0.4287
  Dep-U Fr= 1--      0.7081                 0.2721                 0.6001
 Alpha2 Fr= 1--      0.0512                 0.1461                 0.0107
 Beta2  Fr= 1--      1.5622                 0.4367                 0.1602
 AlphaG Fr= 1--      0.0500                -0.1550                -0.0037
 Gamma2 Fr= 1--     -2.3044                 0.7590                -0.2274
 Delta2 Fr= 1--      0.5647                -0.2713                -1.3573
 Raman1 Fr= 1--      52.951                 38.523                  6.406
 ROA1   Fr= 1--    -203.150                 64.182                -65.267
 CID1   Fr= 1--      -3.837                  1.666                -10.189
 Raman2 Fr= 1--      18.747                  5.240                  1.922
 ROA2   Fr= 1--     -59.823                 20.387                  5.400
 CID2   Fr= 1--      -3.191                  3.890                  2.810
 Raman3 Fr= 1--      37.493                 10.481                  3.844
 ROA3   Fr= 1--    -203.150                 64.182                -65.267
 CID3   Fr= 1--      -5.418                  6.124                -16.979
 RC180  Fr= 1--       0.416                 -0.456                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      0.7669                 1.7692                35.9010
  Dep-P Fr= 1--      0.7496                 0.6550                 0.4263
  Dep-U Fr= 1--      0.8569                 0.7916                 0.5978
 Alpha2 Fr= 1--      0.0000                 0.0030                 0.2414
 Beta2  Fr= 1--      0.1095                 0.2334                 3.5769
 AlphaG Fr= 1--     -0.0037                -0.0059                -0.0650
 Gamma2 Fr= 1--      0.0448                -1.2430               -11.7088
 Delta2 Fr= 1--      0.0187                -1.2500                 1.2853
 Raman1 Fr= 1--       3.067                  7.077                143.604
 ROA1   Fr= 1--       4.899               -159.322              -1082.912
 CID1   Fr= 1--       1.597                -22.514                 -7.541
 Raman2 Fr= 1--       1.314                  2.801                 42.923
 ROA2   Fr= 1--       0.925                -19.831               -291.293
 CID2   Fr= 1--       0.704                 -7.080                 -6.786
 Raman3 Fr= 1--       2.628                  5.602                 85.845
 ROA3   Fr= 1--       4.899               -159.322              -1082.912
 CID3   Fr= 1--       1.864                -28.442                -12.615
 RC180  Fr= 1--       0.714                  0.583                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     89.9468                23.9375                 3.4483
  Dep-P Fr= 1--      0.1786                 0.7330                 0.2632
  Dep-U Fr= 1--      0.3031                 0.8460                 0.4167
 Alpha2 Fr= 1--      1.2921                 0.0069                 0.0394
 Beta2  Fr= 1--      4.5433                 3.3750                 0.2395
 AlphaG Fr= 1--     -0.0625                 0.0191                -0.0523
 Gamma2 Fr= 1--     13.0718                11.0249                 0.9446
 Delta2 Fr= 1--      0.9806                -1.1720                 0.0309
 Raman1 Fr= 1--     359.787                 95.750                 13.793
 ROA1   Fr= 1--    1286.270               1020.885                 91.668
 CID1   Fr= 1--       3.575                 10.662                  6.646
 Raman2 Fr= 1--      54.520                 40.500                  2.874
 ROA2   Fr= 1--     305.878                273.974                 22.423
 CID2   Fr= 1--       5.610                  6.765                  7.802
 Raman3 Fr= 1--     109.039                 81.000                  5.748
 ROA3   Fr= 1--    1286.270               1020.885                 91.668
 CID3   Fr= 1--      11.796                 12.604                 15.947
 RC180  Fr= 1--      -0.394                  0.692                 -0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      5.1159                 8.8916                18.5504
  Dep-P Fr= 1--      0.2569                 0.3346                 0.3655
  Dep-U Fr= 1--      0.4088                 0.5014                 0.5353
 Alpha2 Fr= 1--      0.0595                 0.0820                 0.1548
 Beta2  Fr= 1--      0.3486                 0.7430                 1.6551
 AlphaG Fr= 1--      0.0865                 0.0733                -0.0602
 Gamma2 Fr= 1--     -0.3228                 2.8798                -9.7094
 Delta2 Fr= 1--     -0.7715                 0.3435                -0.9712
 Raman1 Fr= 1--      20.464                 35.567                 74.201
 ROA1   Fr= 1--     -55.678                287.451               -963.184
 CID1   Fr= 1--      -2.721                  8.082                -12.981
 Raman2 Fr= 1--       4.183                  8.916                 19.861
 ROA2   Fr= 1--      -1.576                 66.367               -225.257
 CID2   Fr= 1--      -0.377                  7.443                -11.342
 Raman3 Fr= 1--       8.365                 17.833                 39.722
 ROA3   Fr= 1--     -55.678                287.451               -963.184
 CID3   Fr= 1--      -6.656                 16.119                -24.248
 RC180  Fr= 1--      -0.182                  0.003                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     14.4205                 2.0276                24.4262
  Dep-P Fr= 1--      0.3559                 0.2990                 0.2615
  Dep-U Fr= 1--      0.5250                 0.4604                 0.4146
 Alpha2 Fr= 1--      0.1242                 0.0209                 0.2803
 Beta2  Fr= 1--      1.2617                 0.1556                 1.6877
 AlphaG Fr= 1--      0.1069                 0.0485                 0.2475
 Gamma2 Fr= 1--      9.0276                -0.6596                 1.1803
 Delta2 Fr= 1--     -1.9573                 0.1062                -2.3775
 Raman1 Fr= 1--      57.682                  8.110                 97.705
 ROA1   Fr= 1--     804.014                -59.922                 37.225
 CID1   Fr= 1--      13.939                 -7.388                  0.381
 Raman2 Fr= 1--      15.140                  1.867                 20.252
 ROA2   Fr= 1--     232.321                -16.679                 47.347
 CID2   Fr= 1--      15.345                 -8.934                  2.338
 Raman3 Fr= 1--      30.281                  3.734                 40.504
 ROA3   Fr= 1--     804.014                -59.922                 37.225
 CID3   Fr= 1--      26.552                -16.049                  0.919
 RC180  Fr= 1--       0.050                 -0.079                 -0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     16.2265               671.9255                17.3488
  Dep-P Fr= 1--      0.2068                 0.2246                 0.2001
  Dep-U Fr= 1--      0.3428                 0.3668                 0.3335
 Alpha2 Fr= 1--      0.2164                 8.5416                 0.2355
 Beta2  Fr= 1--      0.9270                41.0789                 0.9642
 AlphaG Fr= 1--     -0.3129                 3.8717                 0.2065
 Gamma2 Fr= 1--      0.3356                10.4344                -1.6141
 Delta2 Fr= 1--      2.0625                -2.1535                -1.5426
 Raman1 Fr= 1--      64.906               2687.702                 69.395
 ROA1   Fr= 1--      98.217                932.793               -204.314
 CID1   Fr= 1--       1.513                  0.347                 -2.944
 Raman2 Fr= 1--      11.125                492.947                 11.571
 ROA2   Fr= 1--      -8.445                267.654                -26.397
 CID2   Fr= 1--      -0.759                  0.543                 -2.281
 Raman3 Fr= 1--      22.249                985.894                 23.141
 ROA3   Fr= 1--      98.217                932.793               -204.314
 CID3   Fr= 1--       4.414                  0.946                 -8.829
 RC180  Fr= 1--      -0.314                 -0.266                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     80.2048               191.4752                16.5309
  Dep-P Fr= 1--      0.1909                 0.2312                 0.5447
  Dep-U Fr= 1--      0.3206                 0.3755                 0.7053
 Alpha2 Fr= 1--      1.1158                 2.3908                 0.0651
 Beta2  Fr= 1--      4.2850                11.9841                 1.9431
 AlphaG Fr= 1--     -0.2330                -0.7998                 0.0316
 Gamma2 Fr= 1--      0.8353                 3.8899                 3.0210
 Delta2 Fr= 1--      9.3190                -0.7847                 0.0765
 Raman1 Fr= 1--     320.819                765.901                 66.124
 ROA1   Fr= 1--     378.399                348.322                292.463
 CID1   Fr= 1--       1.179                  0.455                  4.423
 Raman2 Fr= 1--      51.421                143.809                 23.317
 ROA2   Fr= 1--     -54.504                 99.636                 71.891
 CID2   Fr= 1--      -1.060                  0.693                  3.083
 Raman3 Fr= 1--     102.841                287.619                 46.634
 ROA3   Fr= 1--     378.399                348.322                292.463
 CID3   Fr= 1--       3.679                  1.211                  6.271
 RC180  Fr= 1--      -0.359                 -0.249                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      9.8350                 4.0842                 1.3680
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7282
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8428
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0005
 Beta2  Fr= 1--      1.4049                 0.5835                 0.1921
 AlphaG Fr= 1--     -0.0051                 0.0006                -0.0044
 Gamma2 Fr= 1--     -0.0240                 0.5673                -0.6443
 Delta2 Fr= 1--     -0.1716                -1.4489                 0.0639
 Raman1 Fr= 1--      39.340                 16.337                  5.472
 ROA1   Fr= 1--      -7.796                  8.093                -59.810
 CID1   Fr= 1--      -0.198                  0.495                -10.930
 Raman2 Fr= 1--      16.858                  7.001                  2.306
 ROA2   Fr= 1--       0.797                 25.206                -15.974
 CID2   Fr= 1--       0.047                  3.600                 -6.928
 Raman3 Fr= 1--      33.717                 14.003                  4.612
 ROA3   Fr= 1--      -7.796                  8.093                -59.810
 CID3   Fr= 1--      -0.231                  0.578                -12.970
 RC180  Fr= 1--       0.714                  0.714                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--     12.7408               154.7494                 0.9564
  Dep-P Fr= 1--      0.4137                 0.2366                 0.7464
  Dep-U Fr= 1--      0.5853                 0.3826                 0.8548
 Alpha2 Fr= 1--      0.0898                 1.9038                 0.0001
 Beta2  Fr= 1--      1.2429                 9.8683                 0.1363
 AlphaG Fr= 1--      0.2013                 0.3243                 0.0062
 Gamma2 Fr= 1--      3.1473                 2.7374                 1.5036
 Delta2 Fr= 1--      3.4707                -2.2027                -0.3820
 Raman1 Fr= 1--      50.963                618.997                  3.826
 ROA1   Fr= 1--     413.201                192.310                132.118
 CID1   Fr= 1--       8.108                  0.311                 34.535
 Raman2 Fr= 1--      14.914                118.420                  1.635
 ROA2   Fr= 1--      47.768                 83.320                 39.142
 CID2   Fr= 1--       3.203                  0.704                 23.940
 Raman3 Fr= 1--      29.829                236.840                  3.270
 ROA3   Fr= 1--     413.201                192.310                132.118
 CID3   Fr= 1--      13.852                  0.812                 40.403
 RC180  Fr= 1--       0.171                 -0.235                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     48.5208                18.5790               266.3774
  Dep-P Fr= 1--      0.1428                 0.4236                 0.4486
  Dep-U Fr= 1--      0.2500                 0.5951                 0.6194
 Alpha2 Fr= 1--      0.7638                 0.1262                 1.6421
 Beta2  Fr= 1--      2.0213                 1.8426                27.4976
 AlphaG Fr= 1--      1.1305                 0.1992                 0.6000
 Gamma2 Fr= 1--     -2.5981                 1.1827               -11.3468
 Delta2 Fr= 1--     -1.3791                -5.9575                13.1953
 Raman1 Fr= 1--     194.083                 74.316               1065.510
 ROA1   Fr= 1--    -293.551                -77.097               -667.040
 CID1   Fr= 1--      -1.512                 -1.037                 -0.626
 Raman2 Fr= 1--      24.256                 22.112                329.971
 ROA2   Fr= 1--     -51.323                 76.046               -377.885
 CID2   Fr= 1--      -2.116                  3.439                 -1.145
 Raman3 Fr= 1--      48.512                 44.224                659.943
 ROA3   Fr= 1--    -293.551                -77.097               -667.040
 CID3   Fr= 1--      -6.051                 -1.743                 -1.011
 RC180  Fr= 1--      -0.500                  0.190                  0.239
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     19.8811               243.4962               199.1484
  Dep-P Fr= 1--      0.3355                 0.0663                 0.0214
  Dep-U Fr= 1--      0.5025                 0.1244                 0.0418
 Alpha2 Fr= 1--      0.1828                 4.6257                 4.2097
 Beta2  Fr= 1--      1.6650                 5.0482                 1.3877
 AlphaG Fr= 1--      0.6068                -0.7049                 0.3716
 Gamma2 Fr= 1--      2.3677                -2.7030                 2.4482
 Delta2 Fr= 1--      0.4579                 1.7712                 0.0130
 Raman1 Fr= 1--      79.524                973.985                796.594
 ROA1   Fr= 1--     241.949               -202.809                235.442
 CID1   Fr= 1--       3.042                 -0.208                  0.296
 Raman2 Fr= 1--      19.980                 60.579                 16.652
 ROA2   Fr= 1--      53.161                -79.042                 58.652
 CID2   Fr= 1--       2.661                 -1.305                  3.522
 Raman3 Fr= 1--      39.960                121.157                 33.304
 ROA3   Fr= 1--     241.949               -202.809                235.442
 CID3   Fr= 1--       6.055                 -1.674                  7.069
 RC180  Fr= 1--       0.005                 -0.751                 -0.916
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     86.9286                64.2009                54.8567
  Dep-P Fr= 1--      0.3039                 0.7498                 0.3557
  Dep-U Fr= 1--      0.4662                 0.8570                 0.5248
 Alpha2 Fr= 1--      0.8812                 0.0002                 0.4727
 Beta2  Fr= 1--      6.7538                 9.1702                 4.7978
 AlphaG Fr= 1--      2.1129                -0.1194                -1.4637
 Gamma2 Fr= 1--     -2.3708                -3.8027                 2.9525
 Delta2 Fr= 1--      0.3105                -3.2179                 0.9444
 Raman1 Fr= 1--     347.714                256.804                219.427
 ROA1   Fr= 1--    -217.665               -468.035                313.662
 CID1   Fr= 1--      -0.626                 -1.823                  1.429
 Raman2 Fr= 1--      81.046                110.042                 57.574
 ROA2   Fr= 1--     -59.384                -65.522                 63.305
 CID2   Fr= 1--      -0.733                 -0.595                  1.100
 Raman3 Fr= 1--     162.091                220.084                115.147
 ROA3   Fr= 1--    -217.665               -468.035                313.662
 CID3   Fr= 1--      -1.343                 -2.127                  2.724
 RC180  Fr= 1--      -0.068                  0.714                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    138.4308               186.4769                64.6410
  Dep-P Fr= 1--      0.5422                 0.4174                 0.7035
  Dep-U Fr= 1--      0.7031                 0.5890                 0.8260
 Alpha2 Fr= 1--      0.5527                 1.2965                 0.0522
 Beta2  Fr= 1--     16.2228                18.3052                 8.8986
 AlphaG Fr= 1--      0.4604                 0.2214                -0.0157
 Gamma2 Fr= 1--     -5.8740                 0.8502                -0.1281
 Delta2 Fr= 1--      3.9999                 1.1642                 2.4169
 Raman1 Fr= 1--     553.723                745.907                258.564
 ROA1   Fr= 1--    -435.911                118.878                 65.039
 CID1   Fr= 1--      -0.787                  0.159                  0.252
 Raman2 Fr= 1--     194.673                219.663                106.783
 ROA2   Fr= 1--    -172.975                 11.092                -22.410
 CID2   Fr= 1--      -0.889                  0.050                 -0.210
 Raman3 Fr= 1--     389.347                439.325                213.566
 ROA3   Fr= 1--    -435.911                118.878                 65.039
 CID3   Fr= 1--      -1.120                  0.271                  0.305
 RC180  Fr= 1--       0.406                  0.178                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     38.9344                59.9734               188.5067
  Dep-P Fr= 1--      0.6361                 0.5928                 0.1727
  Dep-U Fr= 1--      0.7776                 0.7444                 0.2945
 Alpha2 Fr= 1--      0.0803                 0.1753                 2.7497
 Beta2  Fr= 1--      5.0458                 7.4405                 9.2528
 AlphaG Fr= 1--      0.0342                 0.0715                -0.0471
 Gamma2 Fr= 1--      0.0933                 3.1885                -2.5399
 Delta2 Fr= 1--     -0.9892                 1.9875                -3.7674
 Raman1 Fr= 1--     155.738                239.894                754.027
 ROA1   Fr= 1--     -22.697                369.699               -364.386
 CID1   Fr= 1--      -0.146                  1.541                 -0.483
 Raman2 Fr= 1--      60.549                 89.286                111.033
 ROA2   Fr= 1--      10.154                 60.626                -30.818
 CID2   Fr= 1--       0.168                  0.679                 -0.278
 Raman3 Fr= 1--     121.098                178.571                222.067
 ROA3   Fr= 1--     -22.697                369.699               -364.386
 CID3   Fr= 1--      -0.187                  2.070                 -1.641
 RC180  Fr= 1--       0.555                  0.489                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    204.6082                83.6440               253.5375
  Dep-P Fr= 1--      0.2290                 0.2766                 0.2702
  Dep-U Fr= 1--      0.3727                 0.4333                 0.4254
 Alpha2 Fr= 1--      2.5699                 0.9191                 2.8378
 Beta2  Fr= 1--     12.7090                 6.0404                17.9765
 AlphaG Fr= 1--      0.3368                -0.1571                 5.6495
 Gamma2 Fr= 1--      3.1017                -1.4788                60.0846
 Delta2 Fr= 1--      1.1459                 0.1565                 5.0329
 Raman1 Fr= 1--     818.433                334.576               1014.150
 ROA1   Fr= 1--     334.432               -136.955               5929.176
 CID1   Fr= 1--       0.409                 -0.409                  5.846
 Raman2 Fr= 1--     152.508                 72.484                215.718
 ROA2   Fr= 1--      65.273                -36.743               1401.768
 CID2   Fr= 1--       0.428                 -0.507                  6.498
 Raman3 Fr= 1--     305.015                144.969                431.437
 ROA3   Fr= 1--     334.432               -136.955               5929.176
 CID3   Fr= 1--       1.096                 -0.945                 13.743
 RC180  Fr= 1--      -0.255                 -0.133                 -0.149
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.313583D+03  0.904327D+01  0.161394D+02
      2   0.904327D+01  0.179074D+03  0.888623D+01
      3   0.161394D+02  0.888623D+01  0.122510D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208319D+01 -0.310630D+02 -0.734447D+00
      2   0.704549D+02  0.213624D+02 -0.159042D+02
      3   0.476001D+02 -0.605146D+02 -0.176064D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.295173D+03 -0.581070D+02  0.717111D+02
      2  -0.124067D+03  0.590968D+02 -0.198581D+02
      3  -0.171107D+03 -0.989887D+00 -0.518530D+02
      4  -0.564948D+02  0.132393D+03  0.527263D+02
      5   0.213956D+01  0.559625D+02 -0.391872D+02
      6   0.212035D+02 -0.547818D+02 -0.323041D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378312D+02 -0.333672D+01 -0.300471D+01  0.418198D+02  0.879040D+01
      2  -0.333672D+01 -0.103604D+01 -0.879317D+00  0.879040D+01  0.896918D+01
      3  -0.300471D+01 -0.879317D+00 -0.287621D-03  0.577421D+01  0.237763D+01
                 6             7             8             9            10 
      1   0.577421D+01  0.403140D+01  0.124328D+01 -0.421670D+00  0.421511D+02
      2   0.237763D+01  0.124328D+01  0.104059D+01  0.154953D+01  0.488369D+01
      3   0.237580D+00 -0.421670D+00  0.154953D+01  0.459850D+00  0.373890D+01
                11            12            13            14            15 
      1   0.488369D+01  0.373890D+01 -0.415842D+02 -0.783932D+01 -0.577742D+01
      2   0.428902D+01  0.109330D+01 -0.783932D+01 -0.764626D+01 -0.244121D+01
      3   0.109330D+01 -0.113444D+00 -0.577742D+01 -0.244121D+01 -0.257717D+00
                16            17            18            19            20 
      1  -0.202905D+01 -0.757292D+00  0.722698D+00  0.430775D+02  0.552200D+01
      2  -0.757292D+00 -0.340974D+00 -0.141074D+01  0.552200D+01  0.399519D+01
      3   0.722698D+00 -0.141074D+01 -0.453343D+00  0.309419D+01  0.844390D+00
                21            22            23            24            25 
      1   0.309419D+01  0.257173D+02  0.263775D+01  0.646068D+00  0.109808D+02
      2   0.844390D+00  0.263775D+01  0.441306D+01  0.195443D+00  0.282632D+00
      3   0.357868D+00  0.646068D+00  0.195443D+00  0.232503D+01 -0.125597D+01
                26            27            28            29            30 
      1   0.282632D+00 -0.125597D+01 -0.567012D+02 -0.531689D+01 -0.697785D+00
      2   0.128925D-01  0.337574D+01 -0.531689D+01 -0.325235D+01 -0.343163D+00
      3   0.337574D+01  0.100405D+01 -0.697785D+00 -0.343163D+00 -0.221093D+01
                31            32            33            34            35 
      1  -0.120588D+02 -0.102648D+01  0.628104D+00 -0.657440D+01  0.253438D+00
      2  -0.102648D+01 -0.826041D+01 -0.216279D+01  0.253438D+00 -0.224062D+01
      3   0.628104D+00 -0.216279D+01 -0.594512D+00 -0.614722D+01 -0.117875D+01
                36            37            38            39            40 
      1  -0.614722D+01 -0.496270D+01 -0.714152D+00 -0.587685D+00 -0.111754D+02
      2  -0.117875D+01 -0.714152D+00 -0.998635D+01 -0.175591D+01 -0.174967D+01
      3  -0.166268D+01 -0.587685D+00 -0.175591D+01 -0.264226D+01  0.511401D+00
                41            42            43            44            45 
      1  -0.174967D+01  0.511401D+00 -0.215961D+01  0.117421D+01 -0.429340D+01
      2   0.257752D+01  0.133625D+01  0.117421D+01 -0.167441D-01 -0.265134D+01
      3   0.133625D+01 -0.715842D+00 -0.429340D+01 -0.265134D+01 -0.323123D+01
                46            47            48            49            50 
      1   0.873361D+01  0.219215D+01  0.195047D+01 -0.223125D+01 -0.187733D+01
      2   0.219215D+01  0.709361D+01  0.252253D+01 -0.187733D+01 -0.510885D+00
      3   0.195047D+01  0.252253D+01  0.300669D+01 -0.385712D+00  0.857391D+00
                51            52            53            54            55 
      1  -0.385712D+00  0.431822D+00  0.302324D+00  0.140095D+01 -0.122026D+02
      2   0.857391D+00  0.302324D+00  0.230694D+01 -0.354418D+01 -0.502354D+01
      3  -0.130358D+01  0.140095D+01 -0.354418D+01 -0.137842D+01 -0.218224D+01
                56            57            58            59            60 
      1  -0.502354D+01 -0.218224D+01 -0.372054D+00  0.105426D+01 -0.107253D+00
      2  -0.103393D+02 -0.216262D+01  0.105426D+01 -0.291029D-01 -0.897088D+00
      3  -0.216262D+01 -0.297370D+01 -0.107253D+00 -0.897088D+00  0.145894D+01
                61            62            63            64            65 
      1  -0.146425D+01 -0.666378D+00 -0.154520D+01 -0.178540D+01  0.232827D+01
      2  -0.666378D+00 -0.276672D+01  0.355951D+01  0.232827D+01 -0.135276D+01
      3  -0.154520D+01  0.355951D+01  0.731541D+00 -0.109849D+00  0.151955D+00
                66            67            68            69            70 
      1  -0.109849D+00  0.323881D+01 -0.322541D+01 -0.100522D+00 -0.457554D+00
      2   0.151955D+00 -0.322541D+01  0.608708D+01  0.249813D+00 -0.129925D+00
      3  -0.974597D-01 -0.100522D+00  0.249813D+00  0.590421D+00  0.111273D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.111273D+00 -0.510221D+01 -0.314480D+01 -0.120742D+01
      2   0.743448D+00  0.180051D+00 -0.314480D+01 -0.313065D+01 -0.947369D+00
      3   0.180051D+00  0.463104D-01 -0.120742D+01 -0.947369D+00 -0.655915D+00
                76            77            78            79            80 
      1  -0.364023D+01 -0.432498D+01 -0.128520D+01 -0.148779D+01 -0.125118D+01
      2  -0.432498D+01 -0.622400D+01 -0.162290D+01 -0.125118D+01 -0.138108D+01
      3  -0.128520D+01 -0.162290D+01 -0.110790D+01  0.641160D-01 -0.660133D+00
                81            82            83            84            85 
      1   0.641160D-01  0.126100D+01 -0.184177D+01 -0.229986D+00 -0.901470D+00
      2  -0.660133D+00 -0.184177D+01  0.287925D+01  0.353545D+00  0.212676D+01
      3  -0.263002D+00 -0.229986D+00  0.353545D+00  0.234512D+00  0.433069D+00
                86            87            88            89            90 
      1   0.212676D+01  0.433069D+00 -0.157398D+00  0.100838D+00 -0.910152D-02
      2  -0.976816D+01 -0.153483D+01  0.100838D+00 -0.144752D+01 -0.416869D+00
      3  -0.153483D+01 -0.101557D+01 -0.910152D-02 -0.416869D+00 -0.217994D+00
                91            92            93            94            95 
      1   0.279690D+02  0.381495D+01 -0.199237D+01  0.294476D+01  0.305550D+01
      2   0.381495D+01  0.193146D+01 -0.841939D+00  0.305550D+01 -0.122912D+01
      3  -0.199237D+01 -0.841939D+00  0.310381D+01 -0.203604D+00  0.319490D+01
                96            97            98            99           100 
      1  -0.203604D+00 -0.105633D+02 -0.183689D+01  0.637430D+01  0.719097D+01
      2   0.319490D+01 -0.183689D+01  0.171725D+01  0.247442D+01 -0.644791D+00
      3   0.114062D+01  0.637430D+01  0.247442D+01 -0.512243D+00  0.183934D+01
               101           102           103           104           105 
      1  -0.644791D+00  0.183934D+01  0.353817D+01 -0.259901D+01  0.121724D+01
      2  -0.233772D+01  0.145325D+01 -0.259901D+01  0.149866D+01 -0.305477D+01
      3   0.145325D+01 -0.348640D+01  0.121724D+01 -0.305477D+01 -0.175006D+01
               106           107           108           109           110 
      1   0.249482D+01  0.133277D+01 -0.205578D+01  0.348988D+01  0.214839D+01
      2   0.133277D+01 -0.205606D+01 -0.328117D+01  0.214839D+01  0.739294D+00
      3  -0.205578D+01 -0.328117D+01  0.311501D+01 -0.344753D+00 -0.404294D+00
               111           112           113           114           115 
      1  -0.344753D+00  0.208821D+01 -0.819044D+00  0.315330D+00  0.184088D+02
      2  -0.404294D+00 -0.819044D+00  0.546863D-01 -0.223158D+00  0.206197D+01
      3  -0.141441D+01  0.315330D+00 -0.223158D+00 -0.716491D+00 -0.678601D+01
               116           117           118           119           120 
      1   0.206197D+01 -0.678601D+01 -0.318490D+01 -0.164674D+01 -0.154855D+01
      2   0.115348D+01 -0.925721D+00 -0.164674D+01 -0.988114D+00 -0.432644D+00
      3  -0.925721D+00  0.478394D+00 -0.154855D+01 -0.432644D+00 -0.154990D+01
               121           122           123           124           125 
      1  -0.627288D+01 -0.198447D+01 -0.126240D+01 -0.232026D+01 -0.544893D+00
      2  -0.198447D+01 -0.257462D+01 -0.210278D+01 -0.544893D+00 -0.205366D+01
      3  -0.126240D+01 -0.210278D+01 -0.202670D+01 -0.261290D+01 -0.187562D+01
               126           127           128           129           130 
      1  -0.261290D+01  0.829818D+00  0.248048D+00 -0.111200D+01 -0.564634D+00
      2  -0.187562D+01  0.248048D+00  0.119794D+01 -0.118986D+01  0.170680D+00
      3  -0.378748D+01 -0.111200D+01 -0.118986D+01  0.255850D+01 -0.127570D+00
               131           132           133           134           135 
      1   0.170680D+00 -0.127570D+00 -0.167125D+01  0.319890D+00  0.141051D+00
      2   0.147643D+01 -0.126588D+01  0.319890D+00 -0.209461D+01  0.294497D+01
      3  -0.126588D+01  0.178837D+01  0.141051D+00  0.294497D+01 -0.720294D+01
               136           137           138           139           140 
      1  -0.103674D+00  0.360545D+00  0.439315D+00  0.128465D+01 -0.651380D+00
      2   0.360545D+00  0.647731D+00 -0.962526D-01 -0.651380D+00  0.418246D+01
      3   0.439315D+00 -0.962526D-01  0.599621D+00 -0.693857D-01  0.159190D+01
               141           142           143           144           145 
      1  -0.693857D-01  0.148721D+01 -0.941076D+00  0.109935D+00 -0.135906D+02
      2   0.159190D+01 -0.941076D+00  0.294625D+01  0.171995D+01  0.268107D+01
      3   0.176879D+01  0.109935D+00  0.171995D+01  0.193608D+01 -0.242844D+01
               146           147           148           149           150 
      1   0.268107D+01 -0.242844D+01  0.879797D+00 -0.100279D+01 -0.859518D-01
      2  -0.153583D+01  0.635120D+00 -0.100279D+01  0.188527D+00  0.410860D-01
      3   0.635120D+00 -0.148622D+01 -0.859518D-01  0.410860D-01  0.204364D-01
               151           152           153           154           155 
      1  -0.154449D+01  0.134826D+00 -0.136244D+01 -0.189295D+02 -0.383064D+01
      2   0.134826D+00  0.582309D-01  0.538368D+00 -0.383064D+01 -0.249806D+01
      3  -0.136244D+01  0.538368D+00 -0.987316D+00  0.137266D+01  0.845105D+00
               156           157           158           159           160 
      1   0.137266D+01 -0.512928D+01 -0.475756D+01  0.234588D+00  0.190564D+01
      2   0.845105D+00 -0.475756D+01 -0.293294D+01  0.538865D+00  0.582029D+00
      3  -0.270180D+01  0.234588D+00  0.538865D+00 -0.514020D+00 -0.263399D+01
               161           162           163           164           165 
      1   0.582029D+00 -0.263399D+01 -0.167843D+02 -0.201152D+01  0.544994D+01
      2  -0.326949D+00 -0.843086D+00 -0.201152D+01  0.182842D+00  0.145796D-01
      3  -0.843086D+00  0.246879D+00  0.544994D+01  0.145796D-01 -0.118329D+01
               166           167           168           169           170 
      1  -0.463204D+01 -0.690867D-01  0.896385D+00 -0.625526D+00 -0.748594D+00
      2  -0.690867D-01  0.194822D+00  0.131034D+01 -0.748594D+00  0.366596D+00
      3   0.896385D+00  0.131034D+01 -0.250292D+00 -0.681840D-01 -0.309859D+00
               171           172           173           174           175 
      1  -0.681840D-01  0.126955D+02  0.103781D+01 -0.310051D+01  0.322648D+01
      2  -0.309859D+00  0.103781D+01  0.129871D+00 -0.172581D+00 -0.404102D-01
      3   0.684708D+01 -0.310051D+01 -0.172581D+00  0.331323D+01 -0.986403D+00
               176           177           178           179           180 
      1  -0.404102D-01 -0.986403D+00 -0.780803D+01 -0.564519D+00  0.287842D+01
      2   0.140616D+00  0.677611D+00 -0.564519D+00  0.110330D+01  0.373229D+00
      3   0.677611D+00  0.992475D+00  0.287842D+01  0.373229D+00  0.278171D+00
               181           182           183           184           185 
      1   0.123656D+02  0.243269D+01  0.981886D+00  0.819762D+01  0.436990D+00
      2   0.243269D+01  0.115372D+02  0.940534D+00  0.436990D+00 -0.377349D+01
      3   0.981886D+00  0.940534D+00  0.268135D+01 -0.158451D+00 -0.121559D+01
               186           187           188           189           190 
      1  -0.158451D+00  0.159533D+01 -0.973341D+00  0.505242D+01  0.340324D+02
      2  -0.121559D+01 -0.973341D+00 -0.534971D+00  0.327410D+01  0.247069D+01
      3   0.114848D+01  0.505242D+01  0.327410D+01  0.293794D+01  0.247706D+01
               191           192           193           194           195 
      1   0.247069D+01  0.247706D+01  0.179352D+02  0.730198D+00  0.390261D+00
      2   0.664670D+01  0.642450D+00  0.730198D+00  0.125458D+02  0.141478D+01
      3   0.642450D+00  0.431175D+01  0.390261D+00  0.141478D+01  0.677202D+00
               196           197           198           199           200 
      1   0.555179D+01 -0.946828D+00  0.730132D+01 -0.396444D+02 -0.525357D+01
      2  -0.946828D+00  0.276127D+01  0.104239D+01 -0.525357D+01 -0.732378D+01
      3   0.730132D+01  0.104239D+01  0.228667D+01 -0.421771D+01 -0.946833D+00
               201           202           203           204           205 
      1  -0.421771D+01 -0.211074D+02 -0.254485D+00 -0.187574D+01 -0.876196D+01
      2  -0.946833D+00 -0.254485D+00 -0.588320D+01  0.254517D+00 -0.310633D+00
      3  -0.379991D+00 -0.187574D+01  0.254517D+00 -0.289520D+01 -0.287705D+00
               206           207           208           209           210 
      1  -0.310633D+00 -0.287705D+00 -0.396598D+01  0.100892D+01 -0.480610D+00
      2  -0.668773D+00 -0.362905D+01  0.100892D+01 -0.300586D+01 -0.446754D+00
      3  -0.362905D+01 -0.168167D+01 -0.480610D+00 -0.446754D+00 -0.908576D+00
               211           212           213           214           215 
      1  -0.539925D+00  0.217700D+01  0.619264D+00 -0.595130D+00  0.419389D+00
      2   0.217700D+01  0.169331D+01  0.727386D+00  0.419389D+00 -0.219226D+00
      3   0.619264D+00  0.727386D+00 -0.113459D+01  0.258271D+00  0.475144D+00
               216           217           218           219           220 
      1   0.258271D+00 -0.127681D+01 -0.221949D+01 -0.609026D+00 -0.201592D+01
      2   0.475144D+00 -0.221949D+01  0.333762D+01 -0.519430D+00 -0.820594D+00
      3  -0.732682D-01 -0.609026D+00 -0.519430D+00  0.162396D+01 -0.100181D+01
               221           222           223           224           225 
      1  -0.820594D+00 -0.100181D+01 -0.736777D-01 -0.688128D+00 -0.205027D+01
      2  -0.557687D+00 -0.205837D+01 -0.688128D+00 -0.126204D+01  0.393227D+01
      3  -0.205837D+01  0.560641D+01 -0.205027D+01  0.393227D+01  0.250549D+01
               226           227           228           229           230 
      1  -0.852340D+00  0.154608D+01  0.145720D+00  0.391365D+00 -0.148381D+01
      2   0.154608D+01 -0.298159D+01 -0.293997D+00 -0.148381D+01  0.982437D+01
      3   0.145720D+00 -0.293997D+00 -0.216608D+00 -0.319460D+00  0.126042D+01
               231           232           233           234           235 
      1  -0.319460D+00 -0.541698D-01 -0.152305D+00  0.168603D+00  0.604932D+01
      2   0.126042D+01 -0.152305D+00  0.130497D+01  0.387277D+00  0.425992D+01
      3   0.926024D+00  0.168603D+00  0.387277D+00  0.230020D+00  0.140362D+01
               236           237           238           239           240 
      1   0.425992D+01  0.140362D+01  0.485587D+01  0.518531D+01  0.141123D+01
      2   0.390842D+01  0.104028D+01  0.518531D+01  0.673642D+01  0.158751D+01
      3   0.104028D+01  0.825553D+00  0.141123D+01  0.158751D+01  0.112004D+01
               241           242           243           244           245 
      1   0.174038D+01  0.148916D+01  0.364485D-01  0.227854D+01 -0.234788D+01
      2   0.148916D+01  0.161091D+01  0.591264D+00 -0.234788D+01  0.145593D+01
      3   0.364485D-01  0.591264D+00  0.265640D+00 -0.184298D+00 -0.104937D-01
               246           247           248           249           250 
      1  -0.184298D+00 -0.368946D+01  0.334799D+01  0.303035D+00 -0.409816D+00
      2  -0.104937D-01  0.334799D+01 -0.597181D+01 -0.674035D+00  0.307207D+00
      3   0.833565D-01  0.303035D+00 -0.674035D+00 -0.563858D+00 -0.718651D-02
               251           252           253           254           255 
      1   0.307207D+00 -0.718651D-02  0.163677D+02 -0.485799D+00  0.149628D+01
      2  -0.935367D+00 -0.214084D-01 -0.485799D+00  0.866405D+00 -0.477704D-01
      3  -0.214084D-01 -0.777346D-01  0.149628D+01 -0.477704D-01  0.122174D+01
               256           257           258           259           260 
      1   0.215418D+01  0.113168D+01  0.181516D+00  0.203369D+01 -0.813236D-01
      2   0.113168D+01  0.377495D+00  0.273296D+00 -0.813236D-01  0.306463D+00
      3   0.181516D+00  0.273296D+00  0.407576D-01  0.174172D+01 -0.350442D+00
               261           262           263           264           265 
      1   0.174172D+01 -0.170844D+00  0.327978D+00 -0.765495D+00 -0.804415D+00
      2  -0.350442D+00  0.327978D+00 -0.171999D+00  0.225381D+00  0.155051D+01
      3   0.374443D+00 -0.765495D+00  0.225381D+00 -0.578201D+00  0.123844D+01
               266           267           268           269           270 
      1   0.155051D+01  0.123844D+01 -0.482903D+01  0.219254D+01  0.328298D+01
      2  -0.165209D+01 -0.143880D+01  0.219254D+01 -0.178504D+01 -0.239888D+01
      3  -0.143880D+01 -0.213640D+01  0.328298D+01 -0.239888D+01 -0.597411D+01
               271           272           273           274           275 
      1  -0.140328D+01  0.555117D+00  0.414062D+00 -0.155284D+01  0.213081D+01
      2   0.555117D+00 -0.898107D+00  0.728812D+00  0.213081D+01 -0.394664D+01
      3   0.414062D+00  0.728812D+00 -0.132256D+01 -0.105326D+01  0.280308D+01
               276           277           278           279 
      1  -0.105326D+01  0.292505D+01 -0.160321D+01  0.189254D+01
      2   0.280308D+01 -0.160321D+01  0.269777D+01 -0.292097D+01
      3  -0.285885D+01  0.189254D+01 -0.292097D+01  0.375986D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.359520D+01 -0.370105D+01  0.620911D+00 -0.751757D+01 -0.658246D+01
      2  -0.108786D+02 -0.406008D+01 -0.116109D+01  0.112904D+02  0.114589D+00
      3  -0.277700D+02  0.239254D+02  0.131172D+01  0.399320D+02  0.201897D+02
                 6             7             8             9            10 
      1  -0.168590D+01  0.391686D+01  0.574229D+01  0.118860D+01 -0.175281D+01
      2  -0.946656D+00 -0.185344D+02 -0.358083D+01 -0.305209D+01  0.227212D+02
      3   0.617245D+01  0.260347D+01  0.746024D+01 -0.184967D+00  0.445994D+01
                11            12            13            14            15 
      1  -0.590370D+01 -0.983679D+00 -0.603429D+01 -0.226290D+01  0.429170D+00
      2  -0.531922D+00 -0.498685D+01 -0.182160D+02 -0.526186D+01 -0.234966D+01
      3   0.279240D+02  0.356617D+01  0.504235D+02  0.248801D+02  0.943152D+01
                16            17            18            19            20 
      1   0.419866D+01  0.688041D+01  0.223574D+01 -0.472829D+01  0.107254D+01
      2  -0.241223D+02 -0.389129D+01 -0.361271D+01  0.190739D+02  0.707513D+01
      3   0.629074D+01  0.856745D+01  0.288563D+01  0.302177D+02 -0.200990D+02
                21            22            23            24            25 
      1  -0.571621D+00 -0.993523D+00 -0.353734D+01 -0.315258D+01  0.806174D+01
      2   0.957802D+00  0.170993D+02  0.280497D+01 -0.123667D+01 -0.137336D+02
      3   0.578630D-01  0.116627D+02  0.290508D+01  0.739593D+00 -0.116060D+01
                26            27            28            29            30 
      1   0.264597D+01 -0.238013D+01 -0.778361D+00 -0.139551D+01 -0.158506D+00
      2  -0.643192D+01 -0.308724D+01 -0.344485D+02 -0.551132D+01  0.730896D+00
      3  -0.409959D+01  0.163986D+01 -0.667087D+01  0.896312D+01  0.152342D+01
                31            32            33            34            35 
      1  -0.682822D+01  0.290860D+01  0.374460D+01 -0.204995D+01  0.152638D+02
      2  -0.780441D+01  0.144833D+01  0.557573D+00 -0.182687D+02 -0.932255D+00
      3   0.248429D+02 -0.577030D+01 -0.528458D+01  0.196222D+01 -0.473803D-01
                36            37            38            39            40 
      1   0.396425D+01 -0.141094D+01  0.596180D+01 -0.431092D+01  0.437275D+01
      2  -0.671511D+00 -0.318733D+00  0.206012D+00  0.209402D+01 -0.628067D+01
      3  -0.203440D+01  0.227214D+02 -0.607511D+01 -0.174657D+01  0.140873D+01
                41            42            43            44            45 
      1  -0.387609D+01 -0.257941D+01 -0.158603D+02  0.473682D+01 -0.123351D+01
      2  -0.485687D+01  0.110640D+01 -0.114720D+02  0.730795D+01 -0.329255D+00
      3   0.105295D+02  0.450593D+01 -0.130442D+00  0.260990D+01  0.567122D+01
                46            47            48            49            50 
      1   0.275438D+01 -0.129268D+01  0.491006D+01  0.164389D+01  0.442719D+01
      2   0.655224D+01  0.255921D+01  0.228861D+01  0.247539D+01  0.261425D+01
      3  -0.377105D+02 -0.227925D+02 -0.498108D+01 -0.122951D+02 -0.227708D+02
                51            52            53            54            55 
      1  -0.298583D+01  0.106249D+02 -0.243147D+01  0.293374D+01  0.242600D+01
      2   0.136384D+01 -0.168452D+02  0.721111D+00  0.158639D+00  0.554928D+01
      3  -0.453079D+01 -0.866489D+01 -0.587220D+01 -0.759672D+01 -0.246717D+02
                56            57            58            59            60 
      1   0.380600D+01  0.752049D+01 -0.127303D+01  0.406302D+01 -0.297042D+01
      2   0.107647D+00 -0.586522D+01  0.471388D+01  0.282728D+01  0.394005D+01
      3  -0.111029D+02 -0.283635D+01 -0.104388D+01 -0.228472D+02 -0.110556D+01
                61            62            63            64            65 
      1   0.929247D+01 -0.191347D+01  0.159307D+01 -0.222649D+00 -0.723343D+00
      2  -0.221129D+02  0.489286D+01  0.118150D+00  0.770835D+00  0.190279D+00
      3  -0.459052D+01 -0.273326D+01 -0.136624D+02 -0.227823D+01  0.180830D+01
                66            67            68            69            70 
      1   0.833031D+00  0.332555D+00 -0.146485D+01 -0.338755D+01  0.171289D+00
      2   0.349174D-01  0.748671D+00 -0.987807D+00 -0.155555D+01 -0.277022D+01
      3  -0.130863D+00  0.579055D+01  0.364921D+01  0.812093D+00 -0.316062D-01
                71            72            73            74            75 
      1   0.171684D+01  0.100572D+00  0.331537D+00  0.125487D+01 -0.189153D+01
      2   0.791913D+00 -0.375456D-01 -0.354046D+01 -0.131482D+01  0.109630D+01
      3   0.885782D+00 -0.682041D+00  0.755753D+01  0.566815D-01  0.773644D+00
                76            77            78            79            80 
      1   0.132965D+01  0.263674D+01 -0.269098D+01  0.317853D+01  0.210247D+01
      2  -0.176367D+01 -0.130627D+01  0.197490D+01 -0.306364D+01 -0.401269D+00
      3   0.166463D+01 -0.240163D+01  0.202286D-01  0.154257D+01 -0.398637D+00
                81            82            83            84            85 
      1   0.223895D+00  0.139137D+01 -0.178864D+01  0.129544D+01 -0.608062D+00
      2   0.724268D+00  0.142871D+01 -0.127916D+01  0.802090D+00 -0.113739D+01
      3  -0.998217D+00 -0.602143D+01  0.283629D+01  0.168185D+00  0.539615D+01
                86            87            88            89            90 
      1   0.397695D+01 -0.375330D+01 -0.118474D+01  0.269947D+01 -0.368329D+00
      2   0.200200D+01 -0.908764D+00 -0.565313D+00 -0.808261D+00 -0.420173D+00
      3  -0.384613D+01 -0.111019D+01 -0.410642D+00 -0.896958D+00  0.885084D+00
                91            92            93            94            95 
      1  -0.665227D+00 -0.155361D+01  0.464910D+00  0.212949D+01  0.506426D+00
      2   0.263488D+02  0.483553D+01 -0.104015D+02  0.296680D+01 -0.747213D+01
      3   0.563357D+01 -0.144679D+01 -0.161359D+01  0.197144D+02 -0.699625D+01
                96            97            98            99           100 
      1  -0.316872D+01  0.420025D+00  0.361106D+01 -0.416772D+01 -0.173266D+01
      2  -0.352915D+01 -0.445966D+02 -0.997097D+01  0.526811D+01  0.197971D+01
      3   0.125048D+02 -0.244055D+01  0.123776D+02  0.921635D+01  0.152392D+02
               101           102           103           104           105 
      1   0.316718D+01  0.258161D+01  0.710769D+00  0.341404D+01  0.640343D+01
      2  -0.541587D+01  0.170262D+02 -0.175724D+01  0.810088D+01  0.830612D+01
      3  -0.172108D+02  0.900948D+01 -0.103951D+02 -0.478593D+00 -0.128998D+02
               106           107           108           109           110 
      1  -0.124647D+01  0.105333D+02  0.668765D-02  0.697742D+01  0.198323D+01
      2   0.764446D+01  0.134352D+02 -0.133512D+02 -0.231237D+02 -0.437173D+01
      3   0.706758D+01 -0.843641D+01 -0.177088D+02 -0.185605D+01  0.150637D+02
               111           112           113           114           115 
      1   0.546769D+01  0.139862D+02  0.566171D+01 -0.166632D+02  0.367589D+01
      2   0.342540D+01 -0.993291D+00 -0.730089D+00 -0.395178D+01  0.287499D+02
      3   0.988261D+00  0.127759D+02  0.116145D+02 -0.270739D+01  0.532918D+01
               116           117           118           119           120 
      1  -0.392302D+01 -0.262216D+01  0.533811D+00  0.123797D+01  0.263607D+00
      2   0.132558D+01 -0.130274D+01  0.408530D+01  0.724308D+00  0.582143D+01
      3  -0.400841D+01 -0.318023D+01 -0.762774D+01 -0.595528D+01 -0.183628D+01
               121           122           123           124           125 
      1   0.732048D-01  0.217904D+01  0.331308D+00 -0.463467D-01  0.280805D+01
      2  -0.683891D+00  0.541879D+01  0.653956D+01  0.614184D+01  0.562500D+01
      3  -0.300321D+01 -0.892401D+01 -0.747175D+01 -0.174690D+01 -0.876109D+01
               126           127           128           129           130 
      1   0.876411D+00  0.791299D+00 -0.152708D+01 -0.222199D+01 -0.936972D-01
      2   0.102603D+02  0.737632D+01  0.381219D+01 -0.950765D+01  0.395761D+00
      3  -0.736706D+01  0.365287D+01  0.557382D+01 -0.660835D+01  0.314518D+01
               131           132           133           134           135 
      1  -0.486163D+00 -0.247967D+01 -0.147578D+01  0.132678D+01  0.626050D+01
      2   0.468457D+01 -0.672222D+01 -0.552368D+01 -0.987025D+01  0.252191D+02
      3   0.606625D+01 -0.564315D+01 -0.291222D+01 -0.759184D+01  0.135876D+02
               136           137           138           139           140 
      1  -0.167861D+01 -0.858915D+00 -0.149703D+01  0.623788D-01 -0.751724D+01
      2  -0.260635D+01  0.836985D+00 -0.168712D+01  0.820823D+00 -0.646466D+01
      3   0.453249D+01  0.368804D+01  0.121302D+01  0.245849D+01  0.172926D+02
               141           142           143           144           145 
      1  -0.731497D+01  0.109840D+00 -0.510008D+01 -0.718647D+01  0.542309D+00
      2  -0.649753D+01 -0.130835D+01 -0.670425D+01 -0.707554D+01 -0.684712D+01
      3   0.743463D+01  0.121688D+01  0.118976D+02  0.897062D+01 -0.865946D+01
               146           147           148           149           150 
      1   0.167398D+01  0.177920D+01  0.110061D+01 -0.273278D+00 -0.119800D+01
      2   0.117829D+00  0.585819D+01  0.880836D+00 -0.174551D+01 -0.210046D+00
      3  -0.626174D+01 -0.475392D+00 -0.155132D+01 -0.160078D+00  0.137483D+01
               151           152           153           154           155 
      1   0.131151D+01 -0.373648D+00  0.325765D+00 -0.502922D+01 -0.160376D+01
      2   0.283955D+01 -0.167954D+01  0.254576D+01  0.100950D+02  0.331326D+00
      3  -0.169680D+01  0.940711D+00  0.523897D+00 -0.644592D+01 -0.255431D+02
               156           157           158           159           160 
      1  -0.556945D+01 -0.987010D+01 -0.358893D+01  0.407753D+00 -0.296714D+01
      2   0.221642D+02 -0.283390D+01  0.110528D+01  0.622486D+01  0.673767D+01
      3   0.124579D+01 -0.175792D+02 -0.158367D+02  0.180012D+01  0.408781D+00
               161           162           163           164           165 
      1   0.252354D+01  0.443027D+00 -0.748979D+01 -0.279636D+01  0.745414D+00
      2   0.376833D+01 -0.158056D+01  0.100803D+02  0.396152D+01  0.175353D+01
      3   0.215805D+01 -0.207458D+01 -0.638815D+01 -0.310587D+01 -0.861938D-02
               166           167           168           169           170 
      1  -0.653361D+01 -0.542738D+00  0.505333D+01  0.197963D+01  0.788908D+01
      2   0.409207D+01 -0.563285D+01  0.156466D+01 -0.114034D+02  0.652046D+00
      3   0.670338D+00 -0.124594D+00  0.630179D+01 -0.234746D+01  0.257354D+01
               171           172           173           174           175 
      1   0.313387D+01  0.818854D+01  0.249765D+01 -0.180611D+01  0.730883D+01
      2  -0.228064D+02 -0.221525D+02 -0.274959D+01 -0.650321D+01 -0.500833D+01
      3  -0.359217D+00  0.361122D+01  0.173289D+01 -0.118255D+01  0.545942D+01
               176           177           178           179           180 
      1   0.799357D+00 -0.298392D+01 -0.173435D+01 -0.134072D+01  0.685660D+00
      2  -0.268256D+01 -0.188299D+01 -0.151965D+01  0.276755D+00 -0.187864D+01
      3   0.174128D+00  0.631919D+00 -0.214608D+01 -0.792504D+00  0.727725D+00
               181           182           183           184           185 
      1  -0.614602D+00 -0.141722D+01 -0.722057D+01  0.406021D+01 -0.303215D+01
      2  -0.152587D+01  0.134845D+01  0.801938D+01  0.303212D+01 -0.878912D+01
      3   0.239486D+02 -0.136722D+02  0.750562D+00 -0.633665D+01  0.281602D+02
               186           187           188           189           190 
      1  -0.194823D+01 -0.165573D+02  0.501967D+01 -0.354701D+01 -0.157995D+01
      2   0.238673D+01  0.444991D+00  0.114385D+02  0.542976D+01  0.961078D+01
      3   0.477137D+01 -0.398218D+00  0.608975D+01  0.250128D+01  0.843110D+01
               191           192           193           194           195 
      1  -0.649343D+01 -0.168865D+01 -0.835285D+01 -0.485376D+01  0.357235D+01
      2  -0.343224D+01  0.273344D+01 -0.320506D+01  0.560747D+01  0.119389D+01
      3   0.200107D+02  0.478913D+01  0.570349D+02 -0.221464D+02  0.295354D+01
               196           197           198           199           200 
      1   0.177699D+01  0.136734D+02  0.341651D+01  0.577005D+00  0.431322D+01
      2   0.226527D+01  0.255580D+01  0.362831D+01 -0.150898D+02  0.111978D+01
      3   0.120909D+02  0.106643D+01  0.636098D-01  0.258172D+00 -0.187974D+02
               201           202           203           204           205 
      1   0.623701D+00  0.156488D+01  0.218327D+01 -0.357383D+01  0.330571D+01
      2   0.291081D+01 -0.823862D+00  0.285652D+01 -0.596766D+01 -0.214942D+02
      3  -0.307544D+01 -0.139152D+02  0.525038D+00 -0.431868D+01 -0.601294D+01
               206           207           208           209           210 
      1   0.373681D+01  0.797210D+00  0.177371D+01  0.610806D+01  0.172442D+01
      2  -0.130031D+02 -0.587744D+01  0.207871D+01  0.517733D+01  0.106626D+02
      3  -0.542590D+01  0.477832D+01 -0.152471D+02 -0.395092D+02 -0.665402D+01
               211           212           213           214           215 
      1   0.107826D+01  0.164006D+01 -0.677572D+01 -0.294531D+01 -0.296028D+00
      2   0.199372D+01  0.244348D+01 -0.846141D+01 -0.571561D+01  0.520977D+01
      3  -0.222156D+01 -0.545860D+01 -0.305870D+01 -0.376580D+01 -0.499303D+01
               216           217           218           219           220 
      1  -0.155156D+01 -0.263271D+01 -0.151194D+01  0.178942D+01  0.102322D+01
      2   0.222896D+00 -0.736110D+01 -0.367954D+01  0.801644D+01 -0.385130D+01
      3  -0.297759D+01  0.371437D+02 -0.112626D+02  0.828675D+01  0.237152D+01
               221           222           223           224           225 
      1  -0.644669D+00  0.855812D+01 -0.135046D+02  0.987698D+01  0.487803D+01
      2  -0.749639D+01  0.338410D+02 -0.962132D+01  0.224207D+02  0.159927D+02
      3  -0.212718D+02  0.944587D+01  0.618122D+01  0.625111D+01 -0.286641D+02
               226           227           228           229           230 
      1   0.466832D+00 -0.579000D+00  0.157834D+01  0.361365D+00  0.557556D-01
      2   0.109297D+01 -0.100892D+01  0.384923D+00 -0.113941D+01  0.338479D+01
      3  -0.814965D+01  0.772480D+01  0.501323D+00  0.644584D+01 -0.209184D+02
               231           232           233           234           235 
      1  -0.448023D+01 -0.835586D+00  0.208181D+01 -0.477004D+00 -0.141265D+01
      2   0.536251D+00  0.253479D+00  0.432825D+00  0.105194D+00  0.200015D+01
      3  -0.326877D+01  0.143781D-01 -0.254798D+01  0.184821D+00  0.234832D+00
               236           237           238           239           240 
      1  -0.152904D+00 -0.252790D+01 -0.901246D+00  0.760666D-01 -0.349998D+01
      2   0.187919D+01  0.348443D+01  0.285992D+01  0.337625D+01  0.456687D+01
      3  -0.617308D+01 -0.631973D+00 -0.636928D+01 -0.140310D+02 -0.261073D+01
               241           242           243           244           245 
      1   0.275194D+01  0.114863D+01 -0.245773D+00  0.521835D+00 -0.513343D+00
      2  -0.250079D+01  0.160845D+01  0.115452D+01  0.712713D+00 -0.611167D+00
      3  -0.105079D+01 -0.263417D+01 -0.195289D+01  0.825985D+00 -0.219240D+01
               246           247           248           249           250 
      1   0.776194D+00 -0.605013D+00  0.381271D+00 -0.303719D+01  0.183597D+00
      2   0.389044D+00 -0.567390D+00 -0.142799D+01 -0.212752D+01 -0.177674D+01
      3  -0.140695D+00 -0.105578D+01  0.145949D+02  0.208894D+01 -0.331268D+00
               251           252           253           254           255 
      1   0.145519D+01 -0.122779D+00  0.149925D+01  0.630316D+00  0.121859D+01
      2   0.111163D+01 -0.148300D+00  0.560735D+01  0.309384D-01  0.953301D+01
      3   0.285664D+01 -0.258300D+00 -0.130028D+02 -0.852700D+01 -0.156205D+01
               256           257           258           259           260 
      1   0.218267D+00  0.453942D+00 -0.683885D+00  0.195355D+01 -0.163788D-01
      2   0.549755D+00  0.127605D+01  0.197308D+00  0.789989D+01 -0.176454D+01
      3  -0.623381D+01 -0.317423D+01 -0.172898D+01 -0.149017D+01 -0.230242D+01
               261           262           263           264           265 
      1   0.983952D-01 -0.400166D+00  0.541997D-01 -0.124550D+01  0.971664D+00
      2   0.185765D+01 -0.625866D+01  0.122854D+01 -0.266362D+01  0.619149D+01
      3   0.135415D+01 -0.770861D+00  0.285074D+01  0.290759D+00 -0.562797D+01
               266           267           268           269           270 
      1  -0.208380D+01 -0.416898D+01  0.531067D+01 -0.142951D+01 -0.100696D+02
      2  -0.824546D+01 -0.126592D+02  0.120369D+02 -0.140324D+02 -0.338371D+02
      3   0.133720D+02  0.939604D+01 -0.807692D+01  0.132134D+02  0.176443D+02
               271           272           273           274           275 
      1  -0.241880D+00  0.514650D-01 -0.249956D+01 -0.785321D+00  0.939375D+00
      2   0.505550D+01  0.286769D+01 -0.615689D+01 -0.404512D+01  0.130341D+02
      3   0.286643D+00  0.802685D+01 -0.543221D+01 -0.677926D+01  0.277235D+02
               276           277           278           279 
      1  -0.457205D+01  0.269963D+01 -0.110631D+01  0.525013D+01
      2  -0.152933D+02  0.514466D+01 -0.150235D+02  0.183184D+02
      3  -0.165819D+02  0.469688D+01 -0.174064D+02  0.190670D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.692841D+02 -0.229428D+02 -0.906721D+01  0.791079D+02  0.257501D+01
      2   0.342304D+02  0.126670D+02  0.692264D+01 -0.358590D+02  0.891446D+01
      3   0.350537D+02  0.102757D+02  0.214458D+01 -0.432488D+02 -0.114895D+02
      4   0.204833D+01  0.128189D+02  0.351979D+01  0.118098D+02  0.211712D+02
      5  -0.994506D+01  0.114194D+01 -0.281560D+01  0.136346D+01  0.211129D+01
      6  -0.240075D+01  0.279245D+01 -0.100291D+01 -0.163962D+01 -0.454538D+00
                 6             7             8             9            10 
      1   0.106671D+02  0.444495D+01 -0.486946D+00 -0.809121D+01  0.916194D+02
      2  -0.224533D+01  0.554355D+00  0.253955D+01 -0.465737D+00 -0.368806D+02
      3  -0.842172D+01 -0.499931D+01 -0.205260D+01  0.855695D+01 -0.547388D+02
      4   0.538126D+01  0.254400D+01  0.388453D+01  0.260524D+01 -0.229746D+02
      5  -0.353063D+01 -0.496237D+00  0.148810D+01 -0.355183D+01  0.767224D+01
      6  -0.590122D+00 -0.326089D+01  0.484707D+01 -0.255075D+01  0.521281D+00
                11            12            13            14            15 
      1  -0.103330D+02  0.955826D+01 -0.770348D+02 -0.241283D+02 -0.106959D+02
      2   0.733039D+01 -0.229585D+01  0.279357D+02  0.147353D+02  0.730644D+01
      3   0.300266D+01 -0.726241D+01  0.490991D+02  0.939295D+01  0.338947D+01
      4   0.918658D+01  0.235471D+01 -0.273243D+02 -0.196861D+02 -0.475069D+01
      5   0.415708D+01 -0.113003D+02 -0.348586D+01 -0.631094D+00  0.161101D+01
      6  -0.112754D+00  0.112746D-01 -0.218687D+01  0.440042D+01 -0.149333D+01
                16            17            18            19            20 
      1  -0.254538D+01 -0.385267D+01 -0.699487D+01  0.385145D+02  0.336314D+02
      2   0.307672D+01  0.183861D+01 -0.159914D+01 -0.174218D+02 -0.214124D+02
      3  -0.531347D+00  0.201406D+01  0.859401D+01 -0.210926D+02 -0.122191D+02
      4  -0.769939D+01 -0.213659D+01 -0.515519D+01  0.431556D+01 -0.186276D+02
      5   0.156373D+01 -0.307103D+01 -0.489886D+01  0.943719D+01  0.192604D+01
      6  -0.327632D+01  0.476055D+01 -0.147579D+01  0.381229D+01 -0.767876D+01
                21            22            23            24            25 
      1   0.145916D+02 -0.130999D+02  0.202668D+02  0.115025D+02  0.387875D+01
      2  -0.798084D+01  0.225053D+02 -0.225869D+02 -0.680788D+01  0.567742D+01
      3  -0.661078D+01 -0.940541D+01  0.232009D+01 -0.469459D+01 -0.955617D+01
      4  -0.111153D+01  0.914792D+01 -0.164397D+01  0.228559D+01  0.758291D+01
      5  -0.498691D+00  0.678882D+01  0.318810D+01 -0.583015D+01  0.113499D+02
      6  -0.116868D+01  0.744672D+01 -0.991018D+01  0.514839D+01  0.114272D+01
                26            27            28            29            30 
      1   0.172694D+02 -0.384807D+01  0.279538D+02  0.726529D+01 -0.110543D+02
      2  -0.104581D+02 -0.509989D+01 -0.349278D+02 -0.321190D+01  0.439272D+01
      3  -0.681129D+01  0.894796D+01  0.697394D+01 -0.405339D+01  0.666157D+01
      4   0.774379D+00 -0.460736D+01  0.155513D+02  0.130206D+02  0.163418D+01
      5  -0.739978D+01 -0.519333D+01 -0.111208D+02  0.203875D+01  0.783697D+01
      6   0.785965D+01 -0.388065D+01 -0.771878D+01  0.371409D+01  0.141621D+01
                31            32            33            34            35 
      1  -0.251362D+02 -0.518499D+02 -0.123402D+02 -0.176435D+02 -0.116420D+02
      2   0.152545D+02  0.420942D+02  0.136215D+02  0.147324D+00  0.849110D+01
      3   0.988166D+01  0.975572D+01 -0.128130D+01  0.174962D+02  0.315086D+01
      4  -0.319024D+02  0.159154D+02  0.482026D+01 -0.106025D+02  0.584709D+01
      5  -0.152679D+02  0.518214D+00 -0.334925D-01  0.221353D+02  0.453186D+01
      6  -0.352060D+01  0.139371D+02 -0.438285D+00 -0.149726D+01  0.707076D+01
                36            37            38            39            40 
      1  -0.811565D+01 -0.133537D+02 -0.656489D+02 -0.143824D+02  0.298824D+02
      2  -0.625727D+01  0.620115D+01  0.453511D+02  0.371438D+01 -0.275987D+02
      3   0.143729D+02  0.715259D+01  0.202978D+02  0.106680D+02 -0.228371D+01
      4   0.208005D+01 -0.254803D+02 -0.110326D+01 -0.531401D+01  0.207747D+02
      5   0.255336D+01  0.279973D-01 -0.836008D+01  0.156501D+01  0.593576D-01
      6  -0.188992D+01 -0.534432D+01  0.811064D+01  0.113864D+02 -0.746289D+01
                41            42            43            44            45 
      1   0.291498D+02  0.613477D+01 -0.110197D+01 -0.711716D+01 -0.191035D+02
      2  -0.253842D+02 -0.770775D+01 -0.125457D+02 -0.347591D+01 -0.102849D+01
      3  -0.376560D+01  0.157298D+01  0.136477D+02  0.105931D+02  0.201320D+02
      4  -0.213279D+02 -0.698278D+01 -0.106467D+02 -0.799967D+01  0.438867D+01
      5  -0.485711D+01  0.572089D+01  0.130456D+02  0.463791D+01  0.664419D+01
      6  -0.118762D+02 -0.347443D+00  0.145615D+02  0.108830D+02  0.852133D+01
                46            47            48            49            50 
      1   0.163208D+02  0.523209D+02  0.165383D+02 -0.212357D+02  0.400020D+01
      2  -0.108452D+02 -0.321622D+02 -0.375466D+01  0.177834D+02 -0.106332D+02
      3  -0.547556D+01 -0.201587D+02 -0.127837D+02  0.345221D+01  0.663304D+01
      4   0.265928D+02 -0.109934D+02  0.466099D+00  0.156502D+02  0.133445D+02
      5  -0.643944D+01 -0.526370D+00  0.139162D+01 -0.165907D+01  0.214668D+01
      6   0.897776D+00 -0.114018D+02 -0.119787D+02  0.516502D+01 -0.770384D+01
                51            52            53            54            55 
      1   0.224752D+01  0.119474D+01  0.972482D+01 -0.209642D+02 -0.197242D+02
      2  -0.576568D+01  0.229402D+01 -0.177179D+02  0.720141D+01  0.310425D+01
      3   0.351816D+01 -0.348876D+01  0.799309D+01  0.137628D+02  0.166200D+02
      4   0.413982D+01  0.605016D+01 -0.985333D+00 -0.280733D+01 -0.192750D+02
      5   0.856359D-01  0.376894D+01 -0.999687D+00 -0.461243D+01  0.374241D+01
      6   0.639307D+01 -0.323862D+01  0.177277D+02  0.563172D+01  0.229820D+01
                56            57            58            59            60 
      1   0.326820D+02  0.743705D+01 -0.595196D+01  0.131538D+02  0.607035D+01
      2  -0.280281D+02 -0.209853D+01  0.840041D+01 -0.163300D+02 -0.684433D+01
      3  -0.465390D+01 -0.533852D+01 -0.244845D+01  0.317624D+01  0.773976D+00
      4  -0.555464D+02 -0.881762D+01  0.131394D+02  0.115027D+02 -0.650230D+00
      5  -0.456217D+01 -0.108240D+02  0.464081D+01 -0.841824D+00  0.526702D+01
      6  -0.525350D+01 -0.132058D+02  0.377715D+01 -0.803098D+01  0.776022D+01
                61            62            63            64            65 
      1  -0.824469D+00  0.101381D+02 -0.264081D+02  0.284204D+01  0.386182D-01
      2   0.121029D+01 -0.156218D+02  0.120761D+02  0.160425D+01 -0.226280D+01
      3  -0.385819D+00  0.548374D+01  0.143319D+02 -0.444629D+01  0.222418D+01
      4  -0.704374D+00 -0.118296D+02  0.774456D+01 -0.103283D+02  0.101172D+02
      5  -0.116492D+01  0.126708D+02 -0.109753D+01  0.287929D+01 -0.959469D+00
      6  -0.354844D+01  0.212308D+02  0.907859D+00 -0.168759D+01  0.153635D+01
                66            67            68            69            70 
      1   0.990212D+00  0.417819D+01 -0.196571D+02 -0.981777D+00  0.345841D+01
      2  -0.506935D+00 -0.894112D+01  0.266305D+02  0.825810D+00 -0.278078D+01
      3  -0.483277D+00  0.476294D+01 -0.697341D+01  0.155967D+00 -0.677628D+00
      4  -0.191968D+00  0.141145D+02 -0.195686D+02 -0.708900D+00  0.565863D+00
      5   0.101729D+01 -0.521943D+00 -0.578967D+00 -0.230398D+01  0.194873D+00
      6  -0.769375D+00  0.165414D+01 -0.212668D+01  0.435380D+01 -0.200083D+01
                71            72            73            74            75 
      1  -0.325014D+01 -0.291004D+01  0.853180D+00 -0.514470D+01 -0.207799D+01
      2   0.321211D+01  0.299820D+01  0.539231D+01  0.105197D+02  0.183652D+01
      3   0.380370D-01 -0.881615D-01 -0.624550D+01 -0.537496D+01  0.241473D+00
      4  -0.217892D+01 -0.117135D+01  0.221894D+02  0.209713D+02  0.582828D+01
      5  -0.289904D+00 -0.217272D+00  0.850758D+01  0.613499D+01  0.521663D+01
      6   0.207626D+01  0.107772D+01  0.774028D+01  0.774502D+01  0.454773D+01
                76            77            78            79            80 
      1  -0.995534D+01 -0.209047D+02 -0.658468D+01 -0.682264D+00 -0.418056D+01
      2   0.163616D+02  0.298230D+02  0.585532D+01  0.409087D+01  0.535743D+01
      3  -0.640624D+01 -0.891832D+01  0.729356D+00 -0.340860D+01 -0.117687D+01
      4   0.237376D+02  0.296744D+02  0.728309D+01  0.732827D+01  0.713327D+01
      5   0.672601D+01  0.753805D+01  0.506811D+01  0.206900D+01  0.360035D+01
      6   0.103799D+02  0.146602D+02  0.876579D+01  0.148133D+01  0.550545D+01
                81            82            83            84            85 
      1  -0.186710D+01 -0.531550D+01  0.988605D+01  0.965985D+00  0.866810D+01
      2   0.253734D+01  0.818935D+01 -0.146504D+02 -0.120485D+01 -0.107659D+02
      3  -0.670238D+00 -0.287385D+01  0.476434D+01  0.238863D+00  0.209779D+01
      4   0.433186D+01 -0.747879D+01  0.152348D+02  0.216072D+01  0.930034D+01
      5   0.222620D+01 -0.255801D+01  0.377021D+01  0.269371D+01  0.248349D+01
      6   0.318604D+01  0.259491D+01 -0.359865D+01 -0.239466D+01 -0.366284D+01
                86            87            88            89            90 
      1  -0.456611D+02 -0.802556D+01  0.916814D+00 -0.656448D+01 -0.218487D+01
      2   0.594612D+02  0.756251D+01 -0.151466D+01  0.775971D+01  0.242609D+01
      3  -0.138000D+02  0.463046D+00  0.597850D+00 -0.119523D+01 -0.241219D+00
      4  -0.208288D+02 -0.325458D+01  0.171897D+01 -0.947072D+00 -0.227495D+01
      5  -0.656642D+01 -0.261519D+01  0.156837D+01 -0.267352D+01 -0.663783D+00
      6   0.161366D+02  0.922447D+01 -0.343947D+00  0.522553D+01  0.212171D+01
                91            92            93            94            95 
      1  -0.414461D+02 -0.190796D+02  0.133643D+02 -0.881290D+01 -0.395562D+01
      2   0.342348D+02  0.166115D+02 -0.716739D+01  0.112828D+02  0.304772D+01
      3   0.721131D+01  0.246813D+01 -0.619693D+01 -0.246991D+01  0.907897D+00
      4  -0.216606D+02 -0.165565D+02  0.301644D+01 -0.280626D+02  0.133624D+02
      5   0.164294D+02  0.254165D+01 -0.244109D+02 -0.172424D+01 -0.268083D+02
      6   0.320396D+01 -0.573793D+01  0.785195D-01 -0.773703D+01  0.272039D+01
                96            97            98            99           100 
      1  -0.365077D+01  0.367346D+02  0.691937D+01 -0.197242D+02 -0.666187D+02
      2   0.679852D+01 -0.266834D+02  0.389969D+00  0.136546D+02  0.388906D+02
      3  -0.314775D+01 -0.100512D+02 -0.730934D+01  0.606959D+01  0.277281D+02
      4  -0.274501D+02  0.863066D+01 -0.213994D+02 -0.164852D+02  0.208627D+02
      5  -0.614896D+01 -0.446381D+02 -0.169099D+02 -0.164499D+01 -0.307490D+02
      6  -0.988804D+01 -0.975551D+01 -0.300118D+01 -0.759609D+01  0.383640D+01
               101           102           103           104           105 
      1   0.220495D+02 -0.293736D+02 -0.358775D+01  0.105532D+02 -0.336097D+01
      2  -0.157247D+02  0.920070D+01 -0.240656D+01 -0.678500D+01 -0.149856D+02
      3  -0.632488D+01  0.201729D+02  0.599431D+01 -0.376823D+01  0.183466D+02
      4   0.181898D+02 -0.480521D+01  0.226506D+02 -0.153337D+02  0.271424D+02
      5  -0.579573D+01  0.213408D+02 -0.873841D+01  0.273011D+02  0.983335D+01
      6   0.675257D+01 -0.129537D+02  0.968219D+01 -0.116988D+02 -0.417592D+01
               106           107           108           109           110 
      1  -0.204491D+02 -0.808203D+01  0.365766D+02 -0.955129D+02 -0.189938D+02
      2   0.104641D+02 -0.113842D+02 -0.167543D+02  0.353857D+02  0.281624D+00
      3   0.998502D+01  0.194663D+02 -0.198223D+02  0.601273D+02  0.187122D+02
      4  -0.687247D+01  0.174799D+02  0.165391D+02 -0.362862D+02 -0.271911D+02
      5   0.123298D+02  0.203972D+02 -0.131893D+02  0.176211D+02  0.778311D+01
      6  -0.629531D+01 -0.984145D+01  0.156573D+02  0.184508D+01  0.289468D+01
               111           112           113           114           115 
      1   0.109737D+02 -0.214496D+02 -0.103804D+02  0.477238D+01 -0.565992D+02
      2  -0.209421D+01  0.474860D+01  0.574941D+01 -0.758042D+00  0.420480D+02
      3  -0.887945D+01  0.167010D+02  0.463097D+01 -0.401434D+01  0.145512D+02
      4   0.588869D+01  0.719164D+01 -0.134335D+02  0.297131D+01 -0.904125D+01
      5  -0.768549D+01  0.548318D+01  0.387027D+01 -0.158920D+01  0.446209D+02
      6  -0.276711D+01  0.490829D+01  0.407701D+00  0.372096D+01  0.129215D+02
               116           117           118           119           120 
      1  -0.580125D+01  0.331906D+02  0.123296D+02  0.826430D+01  0.602044D+01
      2   0.606741D+01 -0.118171D+02 -0.958126D+01 -0.608829D+01 -0.535698D+01
      3  -0.266166D+00 -0.213735D+02 -0.274831D+01 -0.217601D+01 -0.663458D+00
      4  -0.867939D+00  0.913868D+01  0.150472D+02  0.125197D+02  0.515898D+01
      5   0.884759D+01 -0.431597D+01  0.154597D+02  0.599504D+01  0.166606D+02
      6  -0.951998D+00  0.903199D+00  0.581500D+01  0.291532D+01  0.324225D+01
               121           122           123           124           125 
      1   0.175182D+02  0.802907D+00 -0.184357D+00  0.758561D+01 -0.111373D+01
      2  -0.116429D+02 -0.463788D+00 -0.268603D+01 -0.832311D+01 -0.371731D+01
      3  -0.587533D+01 -0.339119D+00  0.287039D+01  0.737495D+00  0.483104D+01
      4   0.169534D+02  0.192496D+02  0.164614D+02  0.711296D+01  0.166737D+02
      5   0.129171D+02  0.166437D+02  0.155307D+02  0.240412D+02  0.142923D+02
      6   0.521922D+01  0.975262D+01  0.102240D+02  0.607338D+01  0.869144D+01
               126           127           128           129           130 
      1  -0.292494D+00 -0.512832D+01 -0.105478D+02  0.206474D+02 -0.945770D+00
      2  -0.103514D+02  0.826088D-01  0.606487D+01 -0.475363D+01 -0.279104D-01
      3   0.106439D+02  0.504572D+01  0.448291D+01 -0.158938D+02  0.973681D+00
      4   0.144695D+02  0.259073D+00 -0.641044D+01  0.305064D+01  0.137990D+01
      5   0.293526D+02  0.462931D+01  0.502675D+01 -0.101569D+02 -0.916314D+00
      6   0.997815D+01 -0.344958D+01 -0.658913D+01  0.107627D+02 -0.131311D+01
               131           132           133           134           135 
      1  -0.120557D+02  0.113238D+02  0.118534D+02  0.143380D+02 -0.373811D+02
      2   0.747862D+01 -0.422365D+01 -0.499524D+01 -0.372049D+01 -0.795845D+00
      3   0.457713D+01 -0.710018D+01 -0.685816D+01 -0.106175D+02  0.381770D+02
      4  -0.775904D+01  0.607099D+01 -0.703169D+01  0.126663D+02 -0.156154D+02
      5   0.596823D+01 -0.102039D+02  0.605855D+01 -0.182953D+02  0.415324D+02
      6  -0.913403D+01  0.138015D+02 -0.142026D-01  0.166771D+02 -0.288835D+02
               136           137           138           139           140 
      1   0.278006D+01 -0.744061D+01 -0.974082D+00 -0.655718D+01 -0.131640D+02
      2   0.668524D+00  0.606291D+01  0.205898D+01  0.114214D+01  0.267296D+02
      3  -0.344858D+01  0.137771D+01 -0.108490D+01  0.541505D+01 -0.135656D+02
      4  -0.361066D+01 -0.200416D+01  0.156440D+01  0.949295D+01 -0.293504D+02
      5  -0.183254D+01  0.285026D-01 -0.339349D+01 -0.402127D+00 -0.126928D+02
      6   0.164960D+01 -0.743808D+00  0.257609D+01 -0.437107D+00  0.393470D+01
               141           142           143           144           145 
      1  -0.416432D+01 -0.591448D+01 -0.412132D+01 -0.892065D+01  0.106470D+03
      2   0.120288D+02  0.141739D+01  0.143641D+02  0.102746D+02 -0.566322D+02
      3  -0.786447D+01  0.449709D+01 -0.102428D+02 -0.135390D+01 -0.498374D+02
      4  -0.114637D+02  0.996326D+01 -0.223389D+02 -0.112920D+02 -0.463229D+02
      5  -0.129269D+02 -0.257672D+00 -0.124405D+02 -0.148766D+02  0.411348D+02
      6   0.786403D+01  0.154561D+00  0.657537D+01  0.682562D+01 -0.949403D+01
               146           147           148           149           150 
      1  -0.164023D+02  0.164712D+02 -0.390060D+01  0.730630D+01  0.279282D+00
      2   0.538135D+01 -0.114782D+02 -0.128614D+01 -0.198039D+01  0.268283D+00
      3   0.110209D+02 -0.499299D+01  0.518674D+01 -0.532591D+01 -0.547565D+00
      4   0.207797D+02 -0.918880D+01  0.129765D+02 -0.495222D+01  0.346214D-01
      5  -0.849361D+01  0.197945D+02  0.713224D-01  0.148029D+01 -0.448983D+00
      6   0.475565D+01 -0.511676D+01  0.304137D+01 -0.278528D+00  0.209469D+01
               151           152           153           154           155 
      1   0.115881D+02 -0.647756D+00  0.692476D+01  0.198147D+03  0.341347D+02
      2  -0.920797D+01  0.210027D+01 -0.608931D+01 -0.904484D+02 -0.967214D+01
      3  -0.238015D+01 -0.145252D+01 -0.835455D+00 -0.107699D+03 -0.244626D+02
      4  -0.408105D+01  0.321950D+00 -0.577184D+01  0.551093D+02  0.482012D+02
      5   0.182387D+02 -0.493414D+01  0.104401D+02 -0.373707D+02 -0.101178D+02
      6  -0.386310D+01  0.296797D+01 -0.329148D+01 -0.141687D+01 -0.437608D+01
               156           157           158           159           160 
      1  -0.110291D+02  0.309151D+02  0.356700D+02 -0.583869D+00 -0.919488D+01
      2   0.100805D+02 -0.576031D+01 -0.868557D+01  0.602987D+00  0.920854D+01
      3   0.948641D+00 -0.251548D+02 -0.269844D+02 -0.191187D-01 -0.136584D-01
      4  -0.757481D+01  0.561488D+02  0.387369D+02 -0.530062D+01 -0.601469D+01
      5   0.396369D+02 -0.621913D+01 -0.903601D+01  0.892928D+01  0.375088D+02
      6   0.353062D+01 -0.930281D+01 -0.494832D+01  0.593220D+01  0.452719D+01
               161           162           163           164           165 
      1  -0.139444D+01  0.211243D+02  0.700471D+02  0.120951D+02 -0.210435D+02
      2   0.145985D+01 -0.138544D+02 -0.461913D+02 -0.531353D+01  0.133621D+02
      3  -0.654051D-01 -0.726991D+01 -0.238557D+02 -0.678159D+01  0.768139D+01
      4  -0.234024D+01  0.880562D+01  0.202418D+02  0.839554D+01 -0.160360D+01
      5   0.898923D+01 -0.956042D+01 -0.409727D+02 -0.189759D+01  0.210847D+02
      6   0.515086D+01 -0.233591D+01 -0.696542D+01 -0.116680D+01  0.101044D+01
               166           167           168           169           170 
      1   0.195319D+02 -0.853168D+01  0.891581D+00  0.123277D+02  0.497163D+01
      2  -0.113935D+02  0.208023D+01 -0.887878D+00 -0.357092D+01 -0.283510D+01
      3  -0.813841D+01  0.645146D+01 -0.370287D-02 -0.875679D+01 -0.213653D+01
      4   0.626877D+01 -0.113983D+01 -0.982396D+01  0.448281D+01 -0.408507D+01
      5  -0.773311D+01 -0.940974D+01  0.131559D+01  0.931990D+01  0.387504D-02
      6  -0.342679D+01 -0.219361D+01  0.115985D+02 -0.223106D+01  0.973451D+01
               171           172           173           174           175 
      1  -0.359522D+02 -0.578864D+02 -0.541887D+01 -0.236748D+01 -0.144106D+02
      2  -0.102010D+02  0.359472D+02  0.317072D+01 -0.836506D+01  0.103729D+02
      3   0.461532D+02  0.219393D+02  0.224814D+01  0.107325D+02  0.403764D+01
      4  -0.228058D+01 -0.129603D+02 -0.495469D+01  0.123045D+01 -0.193936D+01
      5  -0.391377D+02  0.298874D+02  0.179823D+01 -0.194240D+02  0.714199D+01
      6  -0.238479D+01  0.533453D+01  0.334630D+01 -0.152625D+01  0.172670D+01
               176           177           178           179           180 
      1  -0.493687D+01 -0.475583D-01  0.177052D+02  0.236048D+01 -0.112149D+02
      2   0.281031D+01 -0.284898D+01 -0.164749D+02 -0.202234D+01  0.620384D+01
      3   0.212655D+01  0.289654D+01 -0.123023D+01 -0.338143D+00  0.501104D+01
      4  -0.899799D+00 -0.248082D+01  0.663237D+01  0.108152D+01 -0.214646D+01
      5  -0.204922D+01 -0.553069D+01 -0.160168D+02 -0.116109D+01  0.528614D+01
      6   0.132214D+01  0.254888D+01 -0.230031D+01  0.604754D+00  0.164845D+01
               181           182           183           184           185 
      1   0.347003D+02 -0.511066D+02 -0.660411D+01  0.419384D+02  0.158954D+02
      2  -0.165681D+02  0.417730D+02  0.144180D+01 -0.303618D+02 -0.178728D+02
      3  -0.181322D+02  0.933359D+01  0.516231D+01 -0.115766D+02  0.197738D+01
      4  -0.230243D+01  0.391139D+02 -0.189536D+01  0.592045D+01 -0.266424D+02
      5  -0.784953D+01 -0.397024D+01  0.132077D+02 -0.396582D+01 -0.120387D+02
      6  -0.760976D+01 -0.109777D+01  0.123295D+02 -0.771588D+01 -0.943766D+01
               186           187           188           189           190 
      1   0.406693D+01  0.560603D+01 -0.785024D+01  0.325603D+00  0.103442D+03
      2  -0.550016D+01 -0.137888D+02 -0.129896D+01 -0.814620D+01 -0.560268D+02
      3   0.143323D+01  0.818277D+01  0.914920D+01  0.782060D+01 -0.474153D+02
      4  -0.103853D+02 -0.116304D+02 -0.101851D+02  0.216765D+02  0.250639D+01
      5   0.753619D+01  0.320359D+02  0.188229D+02  0.129017D+02 -0.356354D+01
      6   0.196430D+01  0.216972D+02  0.145974D+02  0.694291D+01 -0.277517D+01
               191           192           193           194           195 
      1   0.863586D+01  0.699332D+01  0.626853D+02 -0.373374D+02 -0.496888D+01
      2   0.468245D+01 -0.751121D+00 -0.256769D+02  0.395813D+02  0.109633D+02
      3  -0.133183D+02 -0.624220D+01 -0.370084D+02 -0.224386D+01 -0.599439D+01
      4   0.180638D+02  0.160303D+01 -0.441866D+02  0.542210D+02  0.386555D+01
      5   0.247844D+01  0.868434D+01 -0.115903D+02  0.870731D+01  0.333809D+01
      6   0.258772D+00  0.317778D+01 -0.323159D+01  0.837103D+01 -0.646049D+01
               196           197           198           199           200 
      1   0.110596D+02 -0.110653D+02  0.227785D+02 -0.109541D+03  0.160128D+02
      2  -0.642236D+01  0.100116D+02 -0.198009D+02  0.455792D+02 -0.162083D+02
      3  -0.463724D+01  0.105364D+01 -0.297756D+01  0.639617D+02  0.195476D+00
      4  -0.172013D+02  0.964819D+01  0.217806D+01  0.251746D+02 -0.253965D+02
      5   0.497976D+02  0.845100D+01  0.842725D+01 -0.745675D+01 -0.260549D+01
      6   0.121961D+01  0.688217D+01 -0.344150D+01  0.194483D+01 -0.350131D+01
               201           202           203           204           205 
      1  -0.659008D+01 -0.936962D+02  0.129348D+02 -0.228870D+01 -0.291379D+02
      2   0.232492D+01  0.575134D+02 -0.206709D+02 -0.157754D+01  0.176692D+02
      3   0.426517D+01  0.361828D+02  0.773605D+01  0.386623D+01  0.114687D+02
      4  -0.341582D+00  0.256327D+02 -0.203267D+02  0.429038D+01  0.952251D+01
      5   0.623235D+01 -0.139906D+01  0.224969D+01 -0.134988D+02  0.490795D+01
      6  -0.966008D+00  0.653372D+01 -0.780816D+01  0.862742D+01 -0.196977D+01
               206           207           208           209           210 
      1   0.103720D+02 -0.133868D+02  0.366753D+02  0.746275D+01  0.229182D+01
      2  -0.973868D+01 -0.413388D+01 -0.216693D+02 -0.611168D+01 -0.347984D+01
      3  -0.633338D+00  0.175207D+02 -0.150060D+02 -0.135107D+01  0.118802D+01
      4  -0.395471D+00 -0.170373D+02  0.158812D+02  0.713819D+01 -0.771486D+00
      5  -0.214207D+02 -0.119609D+02  0.997867D+01 -0.142712D+01  0.192409D+02
      6   0.782109D+01 -0.114025D+01  0.789024D+00  0.212210D+01 -0.327515D+01
               211           212           213           214           215 
      1   0.883725D+01  0.534179D+01  0.469753D+01  0.302764D+01  0.484884D-01
      2  -0.473471D+01 -0.202070D+01 -0.559072D+01 -0.390023D+01 -0.212506D+01
      3  -0.410253D+01 -0.332108D+01  0.893189D+00  0.872597D+00  0.207657D+01
      4   0.345652D+02  0.163631D+02  0.676106D+01  0.514320D+01  0.121328D+01
      5   0.721257D+01  0.471949D+01 -0.160940D+02  0.124074D+02  0.523722D+01
      6   0.768876D+00 -0.188060D+01  0.120100D+02  0.167974D+01  0.368689D+01
               216           217           218           219           220 
      1   0.470819D+01 -0.841569D+02 -0.923806D+01 -0.174984D+02 -0.182809D+02
      2  -0.317924D+01  0.487897D+02  0.166996D+01  0.107529D+02  0.642282D+01
      3  -0.152896D+01  0.353672D+02  0.756810D+01  0.674547D+01  0.118580D+02
      4   0.676597D+01 -0.166549D+02  0.278156D+02 -0.448365D+01 -0.730731D+01
      5   0.341898D+01 -0.171157D+02 -0.467270D+01  0.110180D+02 -0.931726D+01
      6   0.334651D+01  0.521684D+00  0.354970D+01 -0.454462D+01 -0.401236D+00
               221           222           223           224           225 
      1   0.177358D+02 -0.162865D+02 -0.128282D+02 -0.108333D+02  0.108734D+02
      2  -0.102766D+02  0.126921D+02  0.372720D+01  0.942620D+01 -0.952870D+01
      3  -0.745918D+01  0.359446D+01  0.910100D+01  0.140711D+01 -0.134474D+01
      4   0.498897D+01 -0.169385D+02 -0.807081D+01 -0.955720D+01  0.407991D+02
      5  -0.165638D+02  0.652189D+02 -0.200757D+02  0.411758D+02  0.314254D+02
      6   0.827673D+01 -0.238948D+02  0.121392D+02 -0.168015D+02 -0.595227D+01
               226           227           228           229           230 
      1  -0.718362D+01  0.173650D+02  0.154159D+01  0.803449D+01 -0.534434D+02
      2   0.873593D+01 -0.195938D+02 -0.160931D+01 -0.882865D+01  0.673709D+02
      3  -0.155231D+01  0.222889D+01  0.677212D-01  0.794161D+00 -0.139275D+02
      4  -0.203236D+01  0.522142D+01  0.743298D+00  0.242953D+01  0.127572D+02
      5  -0.811383D+00  0.134832D+01  0.138090D+01  0.263446D+00 -0.699173D+00
      6   0.784762D+00 -0.129675D+01 -0.223536D+01 -0.147770D+01  0.830566D+01
               231           232           233           234           235 
      1  -0.772280D+01  0.824661D-01 -0.699453D+01 -0.148696D+01  0.261136D+02
      2   0.764178D+01 -0.695471D+00  0.839873D+01  0.227957D+01 -0.316903D+01
      3   0.810145D-01  0.613005D+00 -0.140420D+01 -0.792612D+00 -0.229446D+02
      4   0.152027D+01 -0.145566D+00  0.276950D+01 -0.702327D+00  0.457132D+02
      5   0.110469D+01  0.230278D+01 -0.469175D+00  0.304533D+00  0.109465D+02
      6   0.797900D+01  0.370261D+00  0.397723D+01  0.168633D+01  0.672832D+01
               236           237           238           239           240 
      1   0.144378D+02  0.455808D+01  0.115481D+02  0.254307D+01  0.902392D+00
      2   0.350318D+01 -0.930381D+00  0.102614D+02  0.216170D+02  0.291590D+01
      3  -0.179410D+02 -0.362770D+01 -0.218095D+02 -0.241601D+02 -0.381829D+01
      4   0.397751D+02  0.103673D+02  0.469707D+02  0.572002D+02  0.129980D+02
      5   0.802578D+01  0.784917D+01  0.998949D+01  0.999730D+01  0.822266D+01
      6   0.577812D+01  0.469994D+01  0.833187D+01  0.101209D+02  0.771757D+01
               241           242           243           244           245 
      1   0.562394D+01  0.211713D+01 -0.483663D+00  0.130316D+02 -0.109441D+02
      2   0.161085D+01  0.326948D+01  0.201225D+01 -0.410875D+01  0.321642D+01
      3  -0.723479D+01 -0.538661D+01 -0.152859D+01 -0.892284D+01  0.772768D+01
      4   0.140639D+02  0.139981D+02  0.611005D+01 -0.185264D+02  0.150240D+02
      5   0.184564D+01  0.434542D+01  0.315207D+01 -0.198765D+01  0.121317D+01
      6   0.696559D+00  0.437135D+01  0.269407D+01  0.370647D+00  0.273167D-01
               246           247           248           249           250 
      1  -0.509317D+00 -0.117361D+02 -0.311915D+01 -0.107824D+01 -0.529601D+00
      2   0.984067D-01 -0.913846D+00  0.158329D+02  0.885439D+00 -0.328154D+00
      3   0.410911D+00  0.126499D+02 -0.127137D+02  0.192804D+00  0.857755D+00
      4   0.599478D+00  0.264266D+02 -0.387905D+02 -0.416429D+01  0.256788D+01
      5   0.136467D+01  0.363453D+01 -0.669215D+01 -0.437377D+01  0.673210D+00
      6  -0.499464D+00 -0.162212D+01  0.329855D+01  0.419343D+01 -0.184387D+01
               251           252           253           254           255 
      1  -0.185819D+01 -0.179746D+01  0.209173D+03 -0.387223D+01  0.183513D+02
      2   0.245426D+01  0.228772D+01 -0.109831D+03  0.658814D-01 -0.106810D+02
      3  -0.596076D+00 -0.490260D+00 -0.993427D+02  0.380635D+01 -0.767027D+01
      4  -0.541354D+01 -0.741278D+00 -0.215202D+02  0.150889D+02 -0.196935D+01
      5  -0.642566D-01 -0.435889D+00  0.208052D+02 -0.520455D+00  0.188110D+02
      6   0.168977D+01  0.121890D+01 -0.340193D+01  0.687461D+00 -0.236818D+01
               256           257           258           259           260 
      1   0.232046D+02  0.149429D+02  0.271658D+01  0.233758D+02  0.437199D+00
      2  -0.146105D+02 -0.741033D+01 -0.209891D+01 -0.138217D+02 -0.909834D+00
      3  -0.859412D+01 -0.753252D+01 -0.617663D+00 -0.955406D+01  0.472635D+00
      4   0.169710D+02  0.347371D+01  0.324599D+01 -0.275692D+01  0.367606D+01
      5   0.180231D+01  0.344207D+01  0.702472D+00  0.250982D+02 -0.356197D+01
      6   0.540420D+00 -0.489856D+00  0.161896D+01 -0.267085D+01  0.258993D+01
               261           262           263           264           265 
      1   0.168812D+02  0.734574D+01 -0.214937D+01 -0.893709D+01 -0.583136D+01
      2  -0.998733D+01 -0.411039D+01  0.161400D+01  0.346700D+01  0.100106D+01
      3  -0.689389D+01 -0.323535D+01  0.535377D+00  0.547009D+01  0.483031D+01
      4  -0.463939D+01  0.439986D+00 -0.136360D+01  0.394177D+01  0.192455D+02
      5   0.526146D+01 -0.853837D+01  0.282894D+01 -0.280254D+01  0.141115D+02
      6  -0.493962D+00  0.241465D+01 -0.649480D+00  0.228739D+01 -0.512596D+01
               266           267           268           269           270 
      1   0.248067D+01  0.388759D+01 -0.360850D+02  0.977545D+01  0.426390D+01
      2   0.241499D+01  0.671799D+00  0.209907D+02 -0.350935D+01 -0.840036D+01
      3  -0.489566D+01 -0.455939D+01  0.150943D+02 -0.626610D+01  0.413645D+01
      4  -0.198676D+02 -0.163097D+02  0.278394D+02 -0.216757D+02 -0.264845D+02
      5  -0.165304D+02 -0.248986D+02  0.385752D+02 -0.267617D+02 -0.659859D+02
      6   0.663558D+01  0.112581D+02 -0.118935D+02  0.114638D+02  0.178520D+02
               271           272           273           274           275 
      1  -0.509712D+01 -0.496178D+01  0.117332D+02 -0.104559D+02 -0.560964D+01
      2   0.232046D+01  0.444537D+01 -0.590429D+01  0.187992D+01  0.134941D+02
      3   0.277666D+01  0.516419D+00 -0.582893D+01  0.857600D+01 -0.788442D+01
      4   0.452434D+01 -0.745465D+01  0.382692D+01  0.254068D+02 -0.413672D+02
      5   0.529185D+01  0.455815D+01 -0.102054D+02 -0.117488D+02  0.261139D+02
      6  -0.838985D+00 -0.378199D+01  0.571591D+01  0.722788D+01 -0.154222D+02
               276           277           278           279 
      1   0.688076D+01  0.223128D+02  0.245977D+01 -0.819270D+01
      2  -0.826366D+01 -0.989306D+01 -0.452944D+01  0.186508D+01
      3   0.138290D+01 -0.124197D+02  0.206967D+01  0.632762D+01
      4   0.275315D+02 -0.192500D+02  0.271681D+02 -0.284206D+02
      5  -0.294573D+02  0.207750D+02 -0.279957D+02  0.345557D+02
      6   0.149996D+02 -0.961771D+01  0.150018D+02 -0.159968D+02
 Leave Link  716 at Tue Aug 17 21:16:43 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.313583D+03  0.904327D+01  0.161394D+02
      2   0.904327D+01  0.179074D+03  0.888623D+01
      3   0.161394D+02  0.888623D+01  0.122510D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.208319D+01 -0.310630D+02 -0.734447D+00
      2   0.704549D+02  0.213624D+02 -0.159042D+02
      3   0.476001D+02 -0.605146D+02 -0.176064D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.295173D+03 -0.581070D+02  0.717111D+02
      2  -0.124067D+03  0.590968D+02 -0.198581D+02
      3  -0.171107D+03 -0.989887D+00 -0.518530D+02
      4  -0.564948D+02  0.132393D+03  0.527263D+02
      5   0.213956D+01  0.559625D+02 -0.391872D+02
      6   0.212035D+02 -0.547818D+02 -0.323041D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.378312D+02 -0.333672D+01 -0.300471D+01  0.418198D+02  0.879040D+01
      2  -0.333672D+01 -0.103604D+01 -0.879317D+00  0.879040D+01  0.896918D+01
      3  -0.300471D+01 -0.879317D+00 -0.287621D-03  0.577421D+01  0.237763D+01
                 6             7             8             9            10 
      1   0.577421D+01  0.403140D+01  0.124328D+01 -0.421670D+00  0.421511D+02
      2   0.237763D+01  0.124328D+01  0.104059D+01  0.154953D+01  0.488369D+01
      3   0.237580D+00 -0.421670D+00  0.154953D+01  0.459850D+00  0.373890D+01
                11            12            13            14            15 
      1   0.488369D+01  0.373890D+01 -0.415842D+02 -0.783932D+01 -0.577742D+01
      2   0.428902D+01  0.109330D+01 -0.783932D+01 -0.764626D+01 -0.244121D+01
      3   0.109330D+01 -0.113444D+00 -0.577742D+01 -0.244121D+01 -0.257717D+00
                16            17            18            19            20 
      1  -0.202905D+01 -0.757292D+00  0.722698D+00  0.430775D+02  0.552200D+01
      2  -0.757292D+00 -0.340974D+00 -0.141074D+01  0.552200D+01  0.399519D+01
      3   0.722698D+00 -0.141074D+01 -0.453343D+00  0.309419D+01  0.844390D+00
                21            22            23            24            25 
      1   0.309419D+01  0.257173D+02  0.263775D+01  0.646068D+00  0.109808D+02
      2   0.844390D+00  0.263775D+01  0.441306D+01  0.195443D+00  0.282632D+00
      3   0.357868D+00  0.646068D+00  0.195443D+00  0.232503D+01 -0.125597D+01
                26            27            28            29            30 
      1   0.282632D+00 -0.125597D+01 -0.567012D+02 -0.531689D+01 -0.697785D+00
      2   0.128925D-01  0.337574D+01 -0.531689D+01 -0.325235D+01 -0.343163D+00
      3   0.337574D+01  0.100405D+01 -0.697785D+00 -0.343163D+00 -0.221093D+01
                31            32            33            34            35 
      1  -0.120588D+02 -0.102648D+01  0.628104D+00 -0.657440D+01  0.253438D+00
      2  -0.102648D+01 -0.826041D+01 -0.216279D+01  0.253438D+00 -0.224062D+01
      3   0.628104D+00 -0.216279D+01 -0.594512D+00 -0.614722D+01 -0.117875D+01
                36            37            38            39            40 
      1  -0.614722D+01 -0.496270D+01 -0.714152D+00 -0.587685D+00 -0.111754D+02
      2  -0.117875D+01 -0.714152D+00 -0.998635D+01 -0.175591D+01 -0.174967D+01
      3  -0.166268D+01 -0.587685D+00 -0.175591D+01 -0.264226D+01  0.511401D+00
                41            42            43            44            45 
      1  -0.174967D+01  0.511401D+00 -0.215961D+01  0.117421D+01 -0.429340D+01
      2   0.257752D+01  0.133625D+01  0.117421D+01 -0.167441D-01 -0.265134D+01
      3   0.133625D+01 -0.715842D+00 -0.429340D+01 -0.265134D+01 -0.323123D+01
                46            47            48            49            50 
      1   0.873361D+01  0.219215D+01  0.195047D+01 -0.223125D+01 -0.187733D+01
      2   0.219215D+01  0.709361D+01  0.252253D+01 -0.187733D+01 -0.510885D+00
      3   0.195047D+01  0.252253D+01  0.300669D+01 -0.385712D+00  0.857391D+00
                51            52            53            54            55 
      1  -0.385712D+00  0.431822D+00  0.302324D+00  0.140095D+01 -0.122026D+02
      2   0.857391D+00  0.302324D+00  0.230694D+01 -0.354418D+01 -0.502354D+01
      3  -0.130358D+01  0.140095D+01 -0.354418D+01 -0.137842D+01 -0.218224D+01
                56            57            58            59            60 
      1  -0.502354D+01 -0.218224D+01 -0.372054D+00  0.105426D+01 -0.107253D+00
      2  -0.103393D+02 -0.216262D+01  0.105426D+01 -0.291029D-01 -0.897088D+00
      3  -0.216262D+01 -0.297370D+01 -0.107253D+00 -0.897088D+00  0.145894D+01
                61            62            63            64            65 
      1  -0.146425D+01 -0.666378D+00 -0.154520D+01 -0.178540D+01  0.232827D+01
      2  -0.666378D+00 -0.276672D+01  0.355951D+01  0.232827D+01 -0.135276D+01
      3  -0.154520D+01  0.355951D+01  0.731541D+00 -0.109849D+00  0.151955D+00
                66            67            68            69            70 
      1  -0.109849D+00  0.323881D+01 -0.322541D+01 -0.100522D+00 -0.457554D+00
      2   0.151955D+00 -0.322541D+01  0.608708D+01  0.249813D+00 -0.129925D+00
      3  -0.974597D-01 -0.100522D+00  0.249813D+00  0.590421D+00  0.111273D+00
                71            72            73            74            75 
      1  -0.129925D+00  0.111273D+00 -0.510221D+01 -0.314480D+01 -0.120742D+01
      2   0.743448D+00  0.180051D+00 -0.314480D+01 -0.313065D+01 -0.947369D+00
      3   0.180051D+00  0.463104D-01 -0.120742D+01 -0.947369D+00 -0.655915D+00
                76            77            78            79            80 
      1  -0.364023D+01 -0.432498D+01 -0.128520D+01 -0.148779D+01 -0.125118D+01
      2  -0.432498D+01 -0.622400D+01 -0.162290D+01 -0.125118D+01 -0.138108D+01
      3  -0.128520D+01 -0.162290D+01 -0.110790D+01  0.641160D-01 -0.660133D+00
                81            82            83            84            85 
      1   0.641160D-01  0.126100D+01 -0.184177D+01 -0.229986D+00 -0.901470D+00
      2  -0.660133D+00 -0.184177D+01  0.287925D+01  0.353545D+00  0.212676D+01
      3  -0.263002D+00 -0.229986D+00  0.353545D+00  0.234512D+00  0.433069D+00
                86            87            88            89            90 
      1   0.212676D+01  0.433069D+00 -0.157398D+00  0.100838D+00 -0.910152D-02
      2  -0.976816D+01 -0.153483D+01  0.100838D+00 -0.144752D+01 -0.416869D+00
      3  -0.153483D+01 -0.101557D+01 -0.910152D-02 -0.416869D+00 -0.217994D+00
                91            92            93            94            95 
      1   0.279690D+02  0.381495D+01 -0.199237D+01  0.294476D+01  0.305550D+01
      2   0.381495D+01  0.193146D+01 -0.841939D+00  0.305550D+01 -0.122912D+01
      3  -0.199237D+01 -0.841939D+00  0.310381D+01 -0.203604D+00  0.319490D+01
                96            97            98            99           100 
      1  -0.203604D+00 -0.105633D+02 -0.183689D+01  0.637430D+01  0.719097D+01
      2   0.319490D+01 -0.183689D+01  0.171725D+01  0.247442D+01 -0.644791D+00
      3   0.114062D+01  0.637430D+01  0.247442D+01 -0.512243D+00  0.183934D+01
               101           102           103           104           105 
      1  -0.644791D+00  0.183934D+01  0.353817D+01 -0.259901D+01  0.121724D+01
      2  -0.233772D+01  0.145325D+01 -0.259901D+01  0.149866D+01 -0.305477D+01
      3   0.145325D+01 -0.348640D+01  0.121724D+01 -0.305477D+01 -0.175006D+01
               106           107           108           109           110 
      1   0.249482D+01  0.133277D+01 -0.205578D+01  0.348988D+01  0.214839D+01
      2   0.133277D+01 -0.205606D+01 -0.328117D+01  0.214839D+01  0.739294D+00
      3  -0.205578D+01 -0.328117D+01  0.311501D+01 -0.344753D+00 -0.404294D+00
               111           112           113           114           115 
      1  -0.344753D+00  0.208821D+01 -0.819044D+00  0.315330D+00  0.184088D+02
      2  -0.404294D+00 -0.819044D+00  0.546863D-01 -0.223158D+00  0.206197D+01
      3  -0.141441D+01  0.315330D+00 -0.223158D+00 -0.716491D+00 -0.678601D+01
               116           117           118           119           120 
      1   0.206197D+01 -0.678601D+01 -0.318490D+01 -0.164674D+01 -0.154855D+01
      2   0.115348D+01 -0.925721D+00 -0.164674D+01 -0.988114D+00 -0.432644D+00
      3  -0.925721D+00  0.478394D+00 -0.154855D+01 -0.432644D+00 -0.154990D+01
               121           122           123           124           125 
      1  -0.627288D+01 -0.198447D+01 -0.126240D+01 -0.232026D+01 -0.544893D+00
      2  -0.198447D+01 -0.257462D+01 -0.210278D+01 -0.544893D+00 -0.205366D+01
      3  -0.126240D+01 -0.210278D+01 -0.202670D+01 -0.261290D+01 -0.187562D+01
               126           127           128           129           130 
      1  -0.261290D+01  0.829818D+00  0.248048D+00 -0.111200D+01 -0.564634D+00
      2  -0.187562D+01  0.248048D+00  0.119794D+01 -0.118986D+01  0.170680D+00
      3  -0.378748D+01 -0.111200D+01 -0.118986D+01  0.255850D+01 -0.127570D+00
               131           132           133           134           135 
      1   0.170680D+00 -0.127570D+00 -0.167125D+01  0.319890D+00  0.141051D+00
      2   0.147643D+01 -0.126588D+01  0.319890D+00 -0.209461D+01  0.294497D+01
      3  -0.126588D+01  0.178837D+01  0.141051D+00  0.294497D+01 -0.720294D+01
               136           137           138           139           140 
      1  -0.103674D+00  0.360545D+00  0.439315D+00  0.128465D+01 -0.651380D+00
      2   0.360545D+00  0.647731D+00 -0.962526D-01 -0.651380D+00  0.418246D+01
      3   0.439315D+00 -0.962526D-01  0.599621D+00 -0.693857D-01  0.159190D+01
               141           142           143           144           145 
      1  -0.693857D-01  0.148721D+01 -0.941076D+00  0.109935D+00 -0.135906D+02
      2   0.159190D+01 -0.941076D+00  0.294625D+01  0.171995D+01  0.268107D+01
      3   0.176879D+01  0.109935D+00  0.171995D+01  0.193608D+01 -0.242844D+01
               146           147           148           149           150 
      1   0.268107D+01 -0.242844D+01  0.879797D+00 -0.100279D+01 -0.859518D-01
      2  -0.153583D+01  0.635120D+00 -0.100279D+01  0.188527D+00  0.410860D-01
      3   0.635120D+00 -0.148622D+01 -0.859518D-01  0.410860D-01  0.204364D-01
               151           152           153           154           155 
      1  -0.154449D+01  0.134826D+00 -0.136244D+01 -0.189295D+02 -0.383064D+01
      2   0.134826D+00  0.582309D-01  0.538368D+00 -0.383064D+01 -0.249806D+01
      3  -0.136244D+01  0.538368D+00 -0.987316D+00  0.137266D+01  0.845105D+00
               156           157           158           159           160 
      1   0.137266D+01 -0.512928D+01 -0.475756D+01  0.234588D+00  0.190564D+01
      2   0.845105D+00 -0.475756D+01 -0.293294D+01  0.538865D+00  0.582029D+00
      3  -0.270180D+01  0.234588D+00  0.538865D+00 -0.514020D+00 -0.263399D+01
               161           162           163           164           165 
      1   0.582029D+00 -0.263399D+01 -0.167843D+02 -0.201152D+01  0.544994D+01
      2  -0.326949D+00 -0.843086D+00 -0.201152D+01  0.182842D+00  0.145796D-01
      3  -0.843086D+00  0.246879D+00  0.544994D+01  0.145796D-01 -0.118329D+01
               166           167           168           169           170 
      1  -0.463204D+01 -0.690867D-01  0.896385D+00 -0.625526D+00 -0.748594D+00
      2  -0.690867D-01  0.194822D+00  0.131034D+01 -0.748594D+00  0.366596D+00
      3   0.896385D+00  0.131034D+01 -0.250292D+00 -0.681840D-01 -0.309859D+00
               171           172           173           174           175 
      1  -0.681840D-01  0.126955D+02  0.103781D+01 -0.310051D+01  0.322648D+01
      2  -0.309859D+00  0.103781D+01  0.129871D+00 -0.172581D+00 -0.404102D-01
      3   0.684708D+01 -0.310051D+01 -0.172581D+00  0.331323D+01 -0.986403D+00
               176           177           178           179           180 
      1  -0.404102D-01 -0.986403D+00 -0.780803D+01 -0.564519D+00  0.287842D+01
      2   0.140616D+00  0.677611D+00 -0.564519D+00  0.110330D+01  0.373229D+00
      3   0.677611D+00  0.992475D+00  0.287842D+01  0.373229D+00  0.278171D+00
               181           182           183           184           185 
      1   0.123656D+02  0.243269D+01  0.981886D+00  0.819762D+01  0.436990D+00
      2   0.243269D+01  0.115372D+02  0.940534D+00  0.436990D+00 -0.377349D+01
      3   0.981886D+00  0.940534D+00  0.268135D+01 -0.158451D+00 -0.121559D+01
               186           187           188           189           190 
      1  -0.158451D+00  0.159533D+01 -0.973341D+00  0.505242D+01  0.340324D+02
      2  -0.121559D+01 -0.973341D+00 -0.534971D+00  0.327410D+01  0.247069D+01
      3   0.114848D+01  0.505242D+01  0.327410D+01  0.293794D+01  0.247706D+01
               191           192           193           194           195 
      1   0.247069D+01  0.247706D+01  0.179352D+02  0.730198D+00  0.390261D+00
      2   0.664670D+01  0.642450D+00  0.730198D+00  0.125458D+02  0.141478D+01
      3   0.642450D+00  0.431175D+01  0.390261D+00  0.141478D+01  0.677202D+00
               196           197           198           199           200 
      1   0.555179D+01 -0.946828D+00  0.730132D+01 -0.396444D+02 -0.525357D+01
      2  -0.946828D+00  0.276127D+01  0.104239D+01 -0.525357D+01 -0.732378D+01
      3   0.730132D+01  0.104239D+01  0.228667D+01 -0.421771D+01 -0.946833D+00
               201           202           203           204           205 
      1  -0.421771D+01 -0.211074D+02 -0.254485D+00 -0.187574D+01 -0.876196D+01
      2  -0.946833D+00 -0.254485D+00 -0.588320D+01  0.254517D+00 -0.310633D+00
      3  -0.379991D+00 -0.187574D+01  0.254517D+00 -0.289520D+01 -0.287705D+00
               206           207           208           209           210 
      1  -0.310633D+00 -0.287705D+00 -0.396598D+01  0.100892D+01 -0.480610D+00
      2  -0.668773D+00 -0.362905D+01  0.100892D+01 -0.300586D+01 -0.446754D+00
      3  -0.362905D+01 -0.168167D+01 -0.480610D+00 -0.446754D+00 -0.908576D+00
               211           212           213           214           215 
      1  -0.539925D+00  0.217700D+01  0.619264D+00 -0.595130D+00  0.419389D+00
      2   0.217700D+01  0.169331D+01  0.727386D+00  0.419389D+00 -0.219226D+00
      3   0.619264D+00  0.727386D+00 -0.113459D+01  0.258271D+00  0.475144D+00
               216           217           218           219           220 
      1   0.258271D+00 -0.127681D+01 -0.221949D+01 -0.609026D+00 -0.201592D+01
      2   0.475144D+00 -0.221949D+01  0.333762D+01 -0.519430D+00 -0.820594D+00
      3  -0.732682D-01 -0.609026D+00 -0.519430D+00  0.162396D+01 -0.100181D+01
               221           222           223           224           225 
      1  -0.820594D+00 -0.100181D+01 -0.736777D-01 -0.688128D+00 -0.205027D+01
      2  -0.557687D+00 -0.205837D+01 -0.688128D+00 -0.126204D+01  0.393227D+01
      3  -0.205837D+01  0.560641D+01 -0.205027D+01  0.393227D+01  0.250549D+01
               226           227           228           229           230 
      1  -0.852340D+00  0.154608D+01  0.145720D+00  0.391365D+00 -0.148381D+01
      2   0.154608D+01 -0.298159D+01 -0.293997D+00 -0.148381D+01  0.982437D+01
      3   0.145720D+00 -0.293997D+00 -0.216608D+00 -0.319460D+00  0.126042D+01
               231           232           233           234           235 
      1  -0.319460D+00 -0.541698D-01 -0.152305D+00  0.168603D+00  0.604932D+01
      2   0.126042D+01 -0.152305D+00  0.130497D+01  0.387277D+00  0.425992D+01
      3   0.926024D+00  0.168603D+00  0.387277D+00  0.230020D+00  0.140362D+01
               236           237           238           239           240 
      1   0.425992D+01  0.140362D+01  0.485587D+01  0.518531D+01  0.141123D+01
      2   0.390842D+01  0.104028D+01  0.518531D+01  0.673642D+01  0.158751D+01
      3   0.104028D+01  0.825553D+00  0.141123D+01  0.158751D+01  0.112004D+01
               241           242           243           244           245 
      1   0.174038D+01  0.148916D+01  0.364485D-01  0.227854D+01 -0.234788D+01
      2   0.148916D+01  0.161091D+01  0.591264D+00 -0.234788D+01  0.145593D+01
      3   0.364485D-01  0.591264D+00  0.265640D+00 -0.184298D+00 -0.104937D-01
               246           247           248           249           250 
      1  -0.184298D+00 -0.368946D+01  0.334799D+01  0.303035D+00 -0.409816D+00
      2  -0.104937D-01  0.334799D+01 -0.597181D+01 -0.674035D+00  0.307207D+00
      3   0.833565D-01  0.303035D+00 -0.674035D+00 -0.563858D+00 -0.718651D-02
               251           252           253           254           255 
      1   0.307207D+00 -0.718651D-02  0.163677D+02 -0.485799D+00  0.149628D+01
      2  -0.935367D+00 -0.214084D-01 -0.485799D+00  0.866405D+00 -0.477704D-01
      3  -0.214084D-01 -0.777346D-01  0.149628D+01 -0.477704D-01  0.122174D+01
               256           257           258           259           260 
      1   0.215418D+01  0.113168D+01  0.181516D+00  0.203369D+01 -0.813236D-01
      2   0.113168D+01  0.377495D+00  0.273296D+00 -0.813236D-01  0.306463D+00
      3   0.181516D+00  0.273296D+00  0.407576D-01  0.174172D+01 -0.350442D+00
               261           262           263           264           265 
      1   0.174172D+01 -0.170844D+00  0.327978D+00 -0.765495D+00 -0.804415D+00
      2  -0.350442D+00  0.327978D+00 -0.171999D+00  0.225381D+00  0.155051D+01
      3   0.374443D+00 -0.765495D+00  0.225381D+00 -0.578201D+00  0.123844D+01
               266           267           268           269           270 
      1   0.155051D+01  0.123844D+01 -0.482903D+01  0.219254D+01  0.328298D+01
      2  -0.165209D+01 -0.143880D+01  0.219254D+01 -0.178504D+01 -0.239888D+01
      3  -0.143880D+01 -0.213640D+01  0.328298D+01 -0.239888D+01 -0.597411D+01
               271           272           273           274           275 
      1  -0.140328D+01  0.555117D+00  0.414062D+00 -0.155284D+01  0.213081D+01
      2   0.555117D+00 -0.898107D+00  0.728812D+00  0.213081D+01 -0.394664D+01
      3   0.414062D+00  0.728812D+00 -0.132256D+01 -0.105326D+01  0.280308D+01
               276           277           278           279 
      1  -0.105326D+01  0.292505D+01 -0.160321D+01  0.189254D+01
      2   0.280308D+01 -0.160321D+01  0.269777D+01 -0.292097D+01
      3  -0.285885D+01  0.189254D+01 -0.292097D+01  0.375986D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.359520D+01 -0.370105D+01  0.620911D+00 -0.751757D+01 -0.658246D+01
      2  -0.108786D+02 -0.406008D+01 -0.116109D+01  0.112904D+02  0.114589D+00
      3  -0.277700D+02  0.239254D+02  0.131172D+01  0.399320D+02  0.201897D+02
                 6             7             8             9            10 
      1  -0.168590D+01  0.391686D+01  0.574229D+01  0.118860D+01 -0.175281D+01
      2  -0.946656D+00 -0.185344D+02 -0.358083D+01 -0.305209D+01  0.227212D+02
      3   0.617245D+01  0.260347D+01  0.746024D+01 -0.184967D+00  0.445994D+01
                11            12            13            14            15 
      1  -0.590370D+01 -0.983679D+00 -0.603429D+01 -0.226290D+01  0.429170D+00
      2  -0.531922D+00 -0.498685D+01 -0.182160D+02 -0.526186D+01 -0.234966D+01
      3   0.279240D+02  0.356617D+01  0.504235D+02  0.248801D+02  0.943152D+01
                16            17            18            19            20 
      1   0.419866D+01  0.688041D+01  0.223574D+01 -0.472829D+01  0.107254D+01
      2  -0.241223D+02 -0.389129D+01 -0.361271D+01  0.190739D+02  0.707513D+01
      3   0.629074D+01  0.856745D+01  0.288563D+01  0.302177D+02 -0.200990D+02
                21            22            23            24            25 
      1  -0.571621D+00 -0.993523D+00 -0.353734D+01 -0.315258D+01  0.806174D+01
      2   0.957802D+00  0.170993D+02  0.280497D+01 -0.123667D+01 -0.137336D+02
      3   0.578630D-01  0.116627D+02  0.290508D+01  0.739593D+00 -0.116060D+01
                26            27            28            29            30 
      1   0.264597D+01 -0.238013D+01 -0.778361D+00 -0.139551D+01 -0.158506D+00
      2  -0.643192D+01 -0.308724D+01 -0.344485D+02 -0.551132D+01  0.730896D+00
      3  -0.409959D+01  0.163986D+01 -0.667087D+01  0.896312D+01  0.152342D+01
                31            32            33            34            35 
      1  -0.682822D+01  0.290860D+01  0.374460D+01 -0.204995D+01  0.152638D+02
      2  -0.780441D+01  0.144833D+01  0.557573D+00 -0.182687D+02 -0.932255D+00
      3   0.248429D+02 -0.577030D+01 -0.528458D+01  0.196222D+01 -0.473803D-01
                36            37            38            39            40 
      1   0.396425D+01 -0.141094D+01  0.596180D+01 -0.431092D+01  0.437275D+01
      2  -0.671511D+00 -0.318733D+00  0.206012D+00  0.209402D+01 -0.628067D+01
      3  -0.203440D+01  0.227214D+02 -0.607511D+01 -0.174657D+01  0.140873D+01
                41            42            43            44            45 
      1  -0.387609D+01 -0.257941D+01 -0.158603D+02  0.473682D+01 -0.123351D+01
      2  -0.485687D+01  0.110640D+01 -0.114720D+02  0.730795D+01 -0.329255D+00
      3   0.105295D+02  0.450593D+01 -0.130442D+00  0.260990D+01  0.567122D+01
                46            47            48            49            50 
      1   0.275438D+01 -0.129268D+01  0.491006D+01  0.164389D+01  0.442719D+01
      2   0.655224D+01  0.255921D+01  0.228861D+01  0.247539D+01  0.261425D+01
      3  -0.377105D+02 -0.227925D+02 -0.498108D+01 -0.122951D+02 -0.227708D+02
                51            52            53            54            55 
      1  -0.298583D+01  0.106249D+02 -0.243147D+01  0.293374D+01  0.242600D+01
      2   0.136384D+01 -0.168452D+02  0.721111D+00  0.158639D+00  0.554928D+01
      3  -0.453079D+01 -0.866489D+01 -0.587220D+01 -0.759672D+01 -0.246717D+02
                56            57            58            59            60 
      1   0.380600D+01  0.752049D+01 -0.127303D+01  0.406302D+01 -0.297042D+01
      2   0.107647D+00 -0.586522D+01  0.471388D+01  0.282728D+01  0.394005D+01
      3  -0.111029D+02 -0.283635D+01 -0.104388D+01 -0.228472D+02 -0.110556D+01
                61            62            63            64            65 
      1   0.929247D+01 -0.191347D+01  0.159307D+01 -0.222649D+00 -0.723343D+00
      2  -0.221129D+02  0.489286D+01  0.118150D+00  0.770835D+00  0.190279D+00
      3  -0.459052D+01 -0.273326D+01 -0.136624D+02 -0.227823D+01  0.180830D+01
                66            67            68            69            70 
      1   0.833031D+00  0.332555D+00 -0.146485D+01 -0.338755D+01  0.171289D+00
      2   0.349174D-01  0.748671D+00 -0.987807D+00 -0.155555D+01 -0.277022D+01
      3  -0.130863D+00  0.579055D+01  0.364921D+01  0.812093D+00 -0.316062D-01
                71            72            73            74            75 
      1   0.171684D+01  0.100572D+00  0.331537D+00  0.125487D+01 -0.189153D+01
      2   0.791913D+00 -0.375456D-01 -0.354046D+01 -0.131482D+01  0.109630D+01
      3   0.885782D+00 -0.682041D+00  0.755753D+01  0.566815D-01  0.773644D+00
                76            77            78            79            80 
      1   0.132965D+01  0.263674D+01 -0.269098D+01  0.317853D+01  0.210247D+01
      2  -0.176367D+01 -0.130627D+01  0.197490D+01 -0.306364D+01 -0.401269D+00
      3   0.166463D+01 -0.240163D+01  0.202286D-01  0.154257D+01 -0.398637D+00
                81            82            83            84            85 
      1   0.223895D+00  0.139137D+01 -0.178864D+01  0.129544D+01 -0.608062D+00
      2   0.724268D+00  0.142871D+01 -0.127916D+01  0.802090D+00 -0.113739D+01
      3  -0.998217D+00 -0.602143D+01  0.283629D+01  0.168185D+00  0.539615D+01
                86            87            88            89            90 
      1   0.397695D+01 -0.375330D+01 -0.118474D+01  0.269947D+01 -0.368329D+00
      2   0.200200D+01 -0.908764D+00 -0.565313D+00 -0.808261D+00 -0.420173D+00
      3  -0.384613D+01 -0.111019D+01 -0.410642D+00 -0.896958D+00  0.885084D+00
                91            92            93            94            95 
      1  -0.665227D+00 -0.155361D+01  0.464910D+00  0.212949D+01  0.506426D+00
      2   0.263488D+02  0.483553D+01 -0.104015D+02  0.296680D+01 -0.747213D+01
      3   0.563357D+01 -0.144679D+01 -0.161359D+01  0.197144D+02 -0.699625D+01
                96            97            98            99           100 
      1  -0.316872D+01  0.420025D+00  0.361106D+01 -0.416772D+01 -0.173266D+01
      2  -0.352915D+01 -0.445966D+02 -0.997097D+01  0.526811D+01  0.197971D+01
      3   0.125048D+02 -0.244055D+01  0.123776D+02  0.921635D+01  0.152392D+02
               101           102           103           104           105 
      1   0.316718D+01  0.258161D+01  0.710769D+00  0.341404D+01  0.640343D+01
      2  -0.541587D+01  0.170262D+02 -0.175724D+01  0.810088D+01  0.830612D+01
      3  -0.172108D+02  0.900948D+01 -0.103951D+02 -0.478593D+00 -0.128998D+02
               106           107           108           109           110 
      1  -0.124647D+01  0.105333D+02  0.668765D-02  0.697742D+01  0.198323D+01
      2   0.764446D+01  0.134352D+02 -0.133512D+02 -0.231237D+02 -0.437173D+01
      3   0.706758D+01 -0.843641D+01 -0.177088D+02 -0.185605D+01  0.150637D+02
               111           112           113           114           115 
      1   0.546769D+01  0.139862D+02  0.566171D+01 -0.166632D+02  0.367589D+01
      2   0.342540D+01 -0.993291D+00 -0.730089D+00 -0.395178D+01  0.287499D+02
      3   0.988261D+00  0.127759D+02  0.116145D+02 -0.270739D+01  0.532918D+01
               116           117           118           119           120 
      1  -0.392302D+01 -0.262216D+01  0.533811D+00  0.123797D+01  0.263607D+00
      2   0.132558D+01 -0.130274D+01  0.408530D+01  0.724308D+00  0.582143D+01
      3  -0.400841D+01 -0.318023D+01 -0.762774D+01 -0.595528D+01 -0.183628D+01
               121           122           123           124           125 
      1   0.732048D-01  0.217904D+01  0.331308D+00 -0.463467D-01  0.280805D+01
      2  -0.683891D+00  0.541879D+01  0.653956D+01  0.614184D+01  0.562500D+01
      3  -0.300321D+01 -0.892401D+01 -0.747175D+01 -0.174690D+01 -0.876109D+01
               126           127           128           129           130 
      1   0.876411D+00  0.791299D+00 -0.152708D+01 -0.222199D+01 -0.936972D-01
      2   0.102603D+02  0.737632D+01  0.381219D+01 -0.950765D+01  0.395761D+00
      3  -0.736706D+01  0.365287D+01  0.557382D+01 -0.660835D+01  0.314518D+01
               131           132           133           134           135 
      1  -0.486163D+00 -0.247967D+01 -0.147578D+01  0.132678D+01  0.626050D+01
      2   0.468457D+01 -0.672222D+01 -0.552368D+01 -0.987025D+01  0.252191D+02
      3   0.606625D+01 -0.564315D+01 -0.291222D+01 -0.759184D+01  0.135876D+02
               136           137           138           139           140 
      1  -0.167861D+01 -0.858915D+00 -0.149703D+01  0.623788D-01 -0.751724D+01
      2  -0.260635D+01  0.836985D+00 -0.168712D+01  0.820823D+00 -0.646466D+01
      3   0.453249D+01  0.368804D+01  0.121302D+01  0.245849D+01  0.172926D+02
               141           142           143           144           145 
      1  -0.731497D+01  0.109840D+00 -0.510008D+01 -0.718647D+01  0.542309D+00
      2  -0.649753D+01 -0.130835D+01 -0.670425D+01 -0.707554D+01 -0.684712D+01
      3   0.743463D+01  0.121688D+01  0.118976D+02  0.897062D+01 -0.865946D+01
               146           147           148           149           150 
      1   0.167398D+01  0.177920D+01  0.110061D+01 -0.273278D+00 -0.119800D+01
      2   0.117829D+00  0.585819D+01  0.880836D+00 -0.174551D+01 -0.210046D+00
      3  -0.626174D+01 -0.475392D+00 -0.155132D+01 -0.160078D+00  0.137483D+01
               151           152           153           154           155 
      1   0.131151D+01 -0.373648D+00  0.325765D+00 -0.502922D+01 -0.160376D+01
      2   0.283955D+01 -0.167954D+01  0.254576D+01  0.100950D+02  0.331326D+00
      3  -0.169680D+01  0.940711D+00  0.523897D+00 -0.644592D+01 -0.255431D+02
               156           157           158           159           160 
      1  -0.556945D+01 -0.987010D+01 -0.358893D+01  0.407753D+00 -0.296714D+01
      2   0.221642D+02 -0.283390D+01  0.110528D+01  0.622486D+01  0.673767D+01
      3   0.124579D+01 -0.175792D+02 -0.158367D+02  0.180012D+01  0.408781D+00
               161           162           163           164           165 
      1   0.252354D+01  0.443027D+00 -0.748979D+01 -0.279636D+01  0.745414D+00
      2   0.376833D+01 -0.158056D+01  0.100803D+02  0.396152D+01  0.175353D+01
      3   0.215805D+01 -0.207458D+01 -0.638815D+01 -0.310587D+01 -0.861938D-02
               166           167           168           169           170 
      1  -0.653361D+01 -0.542738D+00  0.505333D+01  0.197963D+01  0.788908D+01
      2   0.409207D+01 -0.563285D+01  0.156466D+01 -0.114034D+02  0.652046D+00
      3   0.670338D+00 -0.124594D+00  0.630179D+01 -0.234746D+01  0.257354D+01
               171           172           173           174           175 
      1   0.313387D+01  0.818854D+01  0.249765D+01 -0.180611D+01  0.730883D+01
      2  -0.228064D+02 -0.221525D+02 -0.274959D+01 -0.650321D+01 -0.500833D+01
      3  -0.359217D+00  0.361122D+01  0.173289D+01 -0.118255D+01  0.545942D+01
               176           177           178           179           180 
      1   0.799357D+00 -0.298392D+01 -0.173435D+01 -0.134072D+01  0.685660D+00
      2  -0.268256D+01 -0.188299D+01 -0.151965D+01  0.276755D+00 -0.187864D+01
      3   0.174128D+00  0.631919D+00 -0.214608D+01 -0.792504D+00  0.727725D+00
               181           182           183           184           185 
      1  -0.614602D+00 -0.141722D+01 -0.722057D+01  0.406021D+01 -0.303215D+01
      2  -0.152587D+01  0.134845D+01  0.801938D+01  0.303212D+01 -0.878912D+01
      3   0.239486D+02 -0.136722D+02  0.750562D+00 -0.633665D+01  0.281602D+02
               186           187           188           189           190 
      1  -0.194823D+01 -0.165573D+02  0.501967D+01 -0.354701D+01 -0.157995D+01
      2   0.238673D+01  0.444991D+00  0.114385D+02  0.542976D+01  0.961078D+01
      3   0.477137D+01 -0.398218D+00  0.608975D+01  0.250128D+01  0.843110D+01
               191           192           193           194           195 
      1  -0.649343D+01 -0.168865D+01 -0.835285D+01 -0.485376D+01  0.357235D+01
      2  -0.343224D+01  0.273344D+01 -0.320506D+01  0.560747D+01  0.119389D+01
      3   0.200107D+02  0.478913D+01  0.570349D+02 -0.221464D+02  0.295354D+01
               196           197           198           199           200 
      1   0.177699D+01  0.136734D+02  0.341651D+01  0.577005D+00  0.431322D+01
      2   0.226527D+01  0.255580D+01  0.362831D+01 -0.150898D+02  0.111978D+01
      3   0.120909D+02  0.106643D+01  0.636098D-01  0.258172D+00 -0.187974D+02
               201           202           203           204           205 
      1   0.623701D+00  0.156488D+01  0.218327D+01 -0.357383D+01  0.330571D+01
      2   0.291081D+01 -0.823862D+00  0.285652D+01 -0.596766D+01 -0.214942D+02
      3  -0.307544D+01 -0.139152D+02  0.525038D+00 -0.431868D+01 -0.601294D+01
               206           207           208           209           210 
      1   0.373681D+01  0.797210D+00  0.177371D+01  0.610806D+01  0.172442D+01
      2  -0.130031D+02 -0.587744D+01  0.207871D+01  0.517733D+01  0.106626D+02
      3  -0.542590D+01  0.477832D+01 -0.152471D+02 -0.395092D+02 -0.665402D+01
               211           212           213           214           215 
      1   0.107826D+01  0.164006D+01 -0.677572D+01 -0.294531D+01 -0.296028D+00
      2   0.199372D+01  0.244348D+01 -0.846141D+01 -0.571561D+01  0.520977D+01
      3  -0.222156D+01 -0.545860D+01 -0.305870D+01 -0.376580D+01 -0.499303D+01
               216           217           218           219           220 
      1  -0.155156D+01 -0.263271D+01 -0.151194D+01  0.178942D+01  0.102322D+01
      2   0.222896D+00 -0.736110D+01 -0.367954D+01  0.801644D+01 -0.385130D+01
      3  -0.297759D+01  0.371437D+02 -0.112626D+02  0.828675D+01  0.237152D+01
               221           222           223           224           225 
      1  -0.644669D+00  0.855812D+01 -0.135046D+02  0.987698D+01  0.487803D+01
      2  -0.749639D+01  0.338410D+02 -0.962132D+01  0.224207D+02  0.159927D+02
      3  -0.212718D+02  0.944587D+01  0.618122D+01  0.625111D+01 -0.286641D+02
               226           227           228           229           230 
      1   0.466832D+00 -0.579000D+00  0.157834D+01  0.361365D+00  0.557556D-01
      2   0.109297D+01 -0.100892D+01  0.384923D+00 -0.113941D+01  0.338479D+01
      3  -0.814965D+01  0.772480D+01  0.501323D+00  0.644584D+01 -0.209184D+02
               231           232           233           234           235 
      1  -0.448023D+01 -0.835586D+00  0.208181D+01 -0.477004D+00 -0.141265D+01
      2   0.536251D+00  0.253479D+00  0.432825D+00  0.105194D+00  0.200015D+01
      3  -0.326877D+01  0.143781D-01 -0.254798D+01  0.184821D+00  0.234832D+00
               236           237           238           239           240 
      1  -0.152904D+00 -0.252790D+01 -0.901246D+00  0.760666D-01 -0.349998D+01
      2   0.187919D+01  0.348443D+01  0.285992D+01  0.337625D+01  0.456687D+01
      3  -0.617308D+01 -0.631973D+00 -0.636928D+01 -0.140310D+02 -0.261073D+01
               241           242           243           244           245 
      1   0.275194D+01  0.114863D+01 -0.245773D+00  0.521835D+00 -0.513343D+00
      2  -0.250079D+01  0.160845D+01  0.115452D+01  0.712713D+00 -0.611167D+00
      3  -0.105079D+01 -0.263417D+01 -0.195289D+01  0.825985D+00 -0.219240D+01
               246           247           248           249           250 
      1   0.776194D+00 -0.605013D+00  0.381271D+00 -0.303719D+01  0.183597D+00
      2   0.389044D+00 -0.567390D+00 -0.142799D+01 -0.212752D+01 -0.177674D+01
      3  -0.140695D+00 -0.105578D+01  0.145949D+02  0.208894D+01 -0.331268D+00
               251           252           253           254           255 
      1   0.145519D+01 -0.122779D+00  0.149925D+01  0.630316D+00  0.121859D+01
      2   0.111163D+01 -0.148300D+00  0.560735D+01  0.309384D-01  0.953301D+01
      3   0.285664D+01 -0.258300D+00 -0.130028D+02 -0.852700D+01 -0.156205D+01
               256           257           258           259           260 
      1   0.218267D+00  0.453942D+00 -0.683885D+00  0.195355D+01 -0.163788D-01
      2   0.549755D+00  0.127605D+01  0.197308D+00  0.789989D+01 -0.176454D+01
      3  -0.623381D+01 -0.317423D+01 -0.172898D+01 -0.149017D+01 -0.230242D+01
               261           262           263           264           265 
      1   0.983952D-01 -0.400166D+00  0.541997D-01 -0.124550D+01  0.971664D+00
      2   0.185765D+01 -0.625866D+01  0.122854D+01 -0.266362D+01  0.619149D+01
      3   0.135415D+01 -0.770861D+00  0.285074D+01  0.290759D+00 -0.562797D+01
               266           267           268           269           270 
      1  -0.208380D+01 -0.416898D+01  0.531067D+01 -0.142951D+01 -0.100696D+02
      2  -0.824546D+01 -0.126592D+02  0.120369D+02 -0.140324D+02 -0.338371D+02
      3   0.133720D+02  0.939604D+01 -0.807692D+01  0.132134D+02  0.176443D+02
               271           272           273           274           275 
      1  -0.241880D+00  0.514650D-01 -0.249956D+01 -0.785321D+00  0.939375D+00
      2   0.505550D+01  0.286769D+01 -0.615689D+01 -0.404512D+01  0.130341D+02
      3   0.286643D+00  0.802685D+01 -0.543221D+01 -0.677926D+01  0.277235D+02
               276           277           278           279 
      1  -0.457205D+01  0.269963D+01 -0.110631D+01  0.525013D+01
      2  -0.152933D+02  0.514466D+01 -0.150235D+02  0.183184D+02
      3  -0.165819D+02  0.469688D+01 -0.174064D+02  0.190670D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.692841D+02 -0.229428D+02 -0.906721D+01  0.791079D+02  0.257501D+01
      2   0.342304D+02  0.126670D+02  0.692264D+01 -0.358590D+02  0.891446D+01
      3   0.350537D+02  0.102757D+02  0.214458D+01 -0.432488D+02 -0.114895D+02
      4   0.204833D+01  0.128189D+02  0.351979D+01  0.118098D+02  0.211712D+02
      5  -0.994506D+01  0.114194D+01 -0.281560D+01  0.136346D+01  0.211129D+01
      6  -0.240075D+01  0.279245D+01 -0.100291D+01 -0.163962D+01 -0.454538D+00
                 6             7             8             9            10 
      1   0.106671D+02  0.444495D+01 -0.486946D+00 -0.809121D+01  0.916194D+02
      2  -0.224533D+01  0.554355D+00  0.253955D+01 -0.465737D+00 -0.368806D+02
      3  -0.842172D+01 -0.499931D+01 -0.205260D+01  0.855695D+01 -0.547388D+02
      4   0.538126D+01  0.254400D+01  0.388453D+01  0.260524D+01 -0.229746D+02
      5  -0.353063D+01 -0.496237D+00  0.148810D+01 -0.355183D+01  0.767224D+01
      6  -0.590122D+00 -0.326089D+01  0.484707D+01 -0.255075D+01  0.521281D+00
                11            12            13            14            15 
      1  -0.103330D+02  0.955826D+01 -0.770348D+02 -0.241283D+02 -0.106959D+02
      2   0.733039D+01 -0.229585D+01  0.279357D+02  0.147353D+02  0.730644D+01
      3   0.300266D+01 -0.726241D+01  0.490991D+02  0.939295D+01  0.338947D+01
      4   0.918658D+01  0.235471D+01 -0.273243D+02 -0.196861D+02 -0.475069D+01
      5   0.415708D+01 -0.113003D+02 -0.348586D+01 -0.631094D+00  0.161101D+01
      6  -0.112754D+00  0.112746D-01 -0.218687D+01  0.440042D+01 -0.149333D+01
                16            17            18            19            20 
      1  -0.254538D+01 -0.385267D+01 -0.699487D+01  0.385145D+02  0.336314D+02
      2   0.307672D+01  0.183861D+01 -0.159914D+01 -0.174218D+02 -0.214124D+02
      3  -0.531347D+00  0.201406D+01  0.859401D+01 -0.210926D+02 -0.122191D+02
      4  -0.769939D+01 -0.213659D+01 -0.515519D+01  0.431556D+01 -0.186276D+02
      5   0.156373D+01 -0.307103D+01 -0.489886D+01  0.943719D+01  0.192604D+01
      6  -0.327632D+01  0.476055D+01 -0.147579D+01  0.381229D+01 -0.767876D+01
                21            22            23            24            25 
      1   0.145916D+02 -0.130999D+02  0.202668D+02  0.115025D+02  0.387875D+01
      2  -0.798084D+01  0.225053D+02 -0.225869D+02 -0.680788D+01  0.567742D+01
      3  -0.661078D+01 -0.940541D+01  0.232009D+01 -0.469459D+01 -0.955617D+01
      4  -0.111153D+01  0.914792D+01 -0.164397D+01  0.228559D+01  0.758291D+01
      5  -0.498691D+00  0.678882D+01  0.318810D+01 -0.583015D+01  0.113499D+02
      6  -0.116868D+01  0.744672D+01 -0.991018D+01  0.514839D+01  0.114272D+01
                26            27            28            29            30 
      1   0.172694D+02 -0.384807D+01  0.279538D+02  0.726529D+01 -0.110543D+02
      2  -0.104581D+02 -0.509989D+01 -0.349278D+02 -0.321190D+01  0.439272D+01
      3  -0.681129D+01  0.894796D+01  0.697394D+01 -0.405339D+01  0.666157D+01
      4   0.774379D+00 -0.460736D+01  0.155513D+02  0.130206D+02  0.163418D+01
      5  -0.739978D+01 -0.519333D+01 -0.111208D+02  0.203875D+01  0.783697D+01
      6   0.785965D+01 -0.388065D+01 -0.771878D+01  0.371409D+01  0.141621D+01
                31            32            33            34            35 
      1  -0.251362D+02 -0.518499D+02 -0.123402D+02 -0.176435D+02 -0.116420D+02
      2   0.152545D+02  0.420942D+02  0.136215D+02  0.147324D+00  0.849110D+01
      3   0.988166D+01  0.975572D+01 -0.128130D+01  0.174962D+02  0.315086D+01
      4  -0.319024D+02  0.159154D+02  0.482026D+01 -0.106025D+02  0.584709D+01
      5  -0.152679D+02  0.518214D+00 -0.334925D-01  0.221353D+02  0.453186D+01
      6  -0.352060D+01  0.139371D+02 -0.438285D+00 -0.149726D+01  0.707076D+01
                36            37            38            39            40 
      1  -0.811565D+01 -0.133537D+02 -0.656489D+02 -0.143824D+02  0.298824D+02
      2  -0.625727D+01  0.620115D+01  0.453511D+02  0.371438D+01 -0.275987D+02
      3   0.143729D+02  0.715259D+01  0.202978D+02  0.106680D+02 -0.228371D+01
      4   0.208005D+01 -0.254803D+02 -0.110326D+01 -0.531401D+01  0.207747D+02
      5   0.255336D+01  0.279973D-01 -0.836008D+01  0.156501D+01  0.593576D-01
      6  -0.188992D+01 -0.534432D+01  0.811064D+01  0.113864D+02 -0.746289D+01
                41            42            43            44            45 
      1   0.291498D+02  0.613477D+01 -0.110197D+01 -0.711716D+01 -0.191035D+02
      2  -0.253842D+02 -0.770775D+01 -0.125457D+02 -0.347591D+01 -0.102849D+01
      3  -0.376560D+01  0.157298D+01  0.136477D+02  0.105931D+02  0.201320D+02
      4  -0.213279D+02 -0.698278D+01 -0.106467D+02 -0.799967D+01  0.438867D+01
      5  -0.485711D+01  0.572089D+01  0.130456D+02  0.463791D+01  0.664419D+01
      6  -0.118762D+02 -0.347443D+00  0.145615D+02  0.108830D+02  0.852133D+01
                46            47            48            49            50 
      1   0.163208D+02  0.523209D+02  0.165383D+02 -0.212357D+02  0.400020D+01
      2  -0.108452D+02 -0.321622D+02 -0.375466D+01  0.177834D+02 -0.106332D+02
      3  -0.547556D+01 -0.201587D+02 -0.127837D+02  0.345221D+01  0.663304D+01
      4   0.265928D+02 -0.109934D+02  0.466099D+00  0.156502D+02  0.133445D+02
      5  -0.643944D+01 -0.526370D+00  0.139162D+01 -0.165907D+01  0.214668D+01
      6   0.897776D+00 -0.114018D+02 -0.119787D+02  0.516502D+01 -0.770384D+01
                51            52            53            54            55 
      1   0.224752D+01  0.119474D+01  0.972482D+01 -0.209642D+02 -0.197242D+02
      2  -0.576568D+01  0.229402D+01 -0.177179D+02  0.720141D+01  0.310425D+01
      3   0.351816D+01 -0.348876D+01  0.799309D+01  0.137628D+02  0.166200D+02
      4   0.413982D+01  0.605016D+01 -0.985333D+00 -0.280733D+01 -0.192750D+02
      5   0.856359D-01  0.376894D+01 -0.999687D+00 -0.461243D+01  0.374241D+01
      6   0.639307D+01 -0.323862D+01  0.177277D+02  0.563172D+01  0.229820D+01
                56            57            58            59            60 
      1   0.326820D+02  0.743705D+01 -0.595196D+01  0.131538D+02  0.607035D+01
      2  -0.280281D+02 -0.209853D+01  0.840041D+01 -0.163300D+02 -0.684433D+01
      3  -0.465390D+01 -0.533852D+01 -0.244845D+01  0.317624D+01  0.773976D+00
      4  -0.555464D+02 -0.881762D+01  0.131394D+02  0.115027D+02 -0.650230D+00
      5  -0.456217D+01 -0.108240D+02  0.464081D+01 -0.841824D+00  0.526702D+01
      6  -0.525350D+01 -0.132058D+02  0.377715D+01 -0.803098D+01  0.776022D+01
                61            62            63            64            65 
      1  -0.824469D+00  0.101381D+02 -0.264081D+02  0.284204D+01  0.386182D-01
      2   0.121029D+01 -0.156218D+02  0.120761D+02  0.160425D+01 -0.226280D+01
      3  -0.385819D+00  0.548374D+01  0.143319D+02 -0.444629D+01  0.222418D+01
      4  -0.704374D+00 -0.118296D+02  0.774456D+01 -0.103283D+02  0.101172D+02
      5  -0.116492D+01  0.126708D+02 -0.109753D+01  0.287929D+01 -0.959469D+00
      6  -0.354844D+01  0.212308D+02  0.907859D+00 -0.168759D+01  0.153635D+01
                66            67            68            69            70 
      1   0.990212D+00  0.417819D+01 -0.196571D+02 -0.981777D+00  0.345841D+01
      2  -0.506935D+00 -0.894112D+01  0.266305D+02  0.825810D+00 -0.278078D+01
      3  -0.483277D+00  0.476294D+01 -0.697341D+01  0.155967D+00 -0.677628D+00
      4  -0.191968D+00  0.141145D+02 -0.195686D+02 -0.708900D+00  0.565863D+00
      5   0.101729D+01 -0.521943D+00 -0.578967D+00 -0.230398D+01  0.194873D+00
      6  -0.769375D+00  0.165414D+01 -0.212668D+01  0.435380D+01 -0.200083D+01
                71            72            73            74            75 
      1  -0.325014D+01 -0.291004D+01  0.853180D+00 -0.514470D+01 -0.207799D+01
      2   0.321211D+01  0.299820D+01  0.539231D+01  0.105197D+02  0.183652D+01
      3   0.380370D-01 -0.881615D-01 -0.624550D+01 -0.537496D+01  0.241473D+00
      4  -0.217892D+01 -0.117135D+01  0.221894D+02  0.209713D+02  0.582828D+01
      5  -0.289904D+00 -0.217272D+00  0.850758D+01  0.613499D+01  0.521663D+01
      6   0.207626D+01  0.107772D+01  0.774028D+01  0.774502D+01  0.454773D+01
                76            77            78            79            80 
      1  -0.995534D+01 -0.209047D+02 -0.658468D+01 -0.682264D+00 -0.418056D+01
      2   0.163616D+02  0.298230D+02  0.585532D+01  0.409087D+01  0.535743D+01
      3  -0.640624D+01 -0.891832D+01  0.729356D+00 -0.340860D+01 -0.117687D+01
      4   0.237376D+02  0.296744D+02  0.728309D+01  0.732827D+01  0.713327D+01
      5   0.672601D+01  0.753805D+01  0.506811D+01  0.206900D+01  0.360035D+01
      6   0.103799D+02  0.146602D+02  0.876579D+01  0.148133D+01  0.550545D+01
                81            82            83            84            85 
      1  -0.186710D+01 -0.531550D+01  0.988605D+01  0.965985D+00  0.866810D+01
      2   0.253734D+01  0.818935D+01 -0.146504D+02 -0.120485D+01 -0.107659D+02
      3  -0.670238D+00 -0.287385D+01  0.476434D+01  0.238863D+00  0.209779D+01
      4   0.433186D+01 -0.747879D+01  0.152348D+02  0.216072D+01  0.930034D+01
      5   0.222620D+01 -0.255801D+01  0.377021D+01  0.269371D+01  0.248349D+01
      6   0.318604D+01  0.259491D+01 -0.359865D+01 -0.239466D+01 -0.366284D+01
                86            87            88            89            90 
      1  -0.456611D+02 -0.802556D+01  0.916814D+00 -0.656448D+01 -0.218487D+01
      2   0.594612D+02  0.756251D+01 -0.151466D+01  0.775971D+01  0.242609D+01
      3  -0.138000D+02  0.463046D+00  0.597850D+00 -0.119523D+01 -0.241219D+00
      4  -0.208288D+02 -0.325458D+01  0.171897D+01 -0.947072D+00 -0.227495D+01
      5  -0.656642D+01 -0.261519D+01  0.156837D+01 -0.267352D+01 -0.663783D+00
      6   0.161366D+02  0.922447D+01 -0.343947D+00  0.522553D+01  0.212171D+01
                91            92            93            94            95 
      1  -0.414461D+02 -0.190796D+02  0.133643D+02 -0.881290D+01 -0.395562D+01
      2   0.342348D+02  0.166115D+02 -0.716739D+01  0.112828D+02  0.304772D+01
      3   0.721131D+01  0.246813D+01 -0.619693D+01 -0.246991D+01  0.907897D+00
      4  -0.216606D+02 -0.165565D+02  0.301644D+01 -0.280626D+02  0.133624D+02
      5   0.164294D+02  0.254165D+01 -0.244109D+02 -0.172424D+01 -0.268083D+02
      6   0.320396D+01 -0.573793D+01  0.785195D-01 -0.773703D+01  0.272039D+01
                96            97            98            99           100 
      1  -0.365077D+01  0.367346D+02  0.691937D+01 -0.197242D+02 -0.666187D+02
      2   0.679852D+01 -0.266834D+02  0.389969D+00  0.136546D+02  0.388906D+02
      3  -0.314775D+01 -0.100512D+02 -0.730934D+01  0.606959D+01  0.277281D+02
      4  -0.274501D+02  0.863066D+01 -0.213994D+02 -0.164852D+02  0.208627D+02
      5  -0.614896D+01 -0.446381D+02 -0.169099D+02 -0.164499D+01 -0.307490D+02
      6  -0.988804D+01 -0.975551D+01 -0.300118D+01 -0.759609D+01  0.383640D+01
               101           102           103           104           105 
      1   0.220495D+02 -0.293736D+02 -0.358775D+01  0.105532D+02 -0.336097D+01
      2  -0.157247D+02  0.920070D+01 -0.240656D+01 -0.678500D+01 -0.149856D+02
      3  -0.632488D+01  0.201729D+02  0.599431D+01 -0.376823D+01  0.183466D+02
      4   0.181898D+02 -0.480521D+01  0.226506D+02 -0.153337D+02  0.271424D+02
      5  -0.579573D+01  0.213408D+02 -0.873841D+01  0.273011D+02  0.983335D+01
      6   0.675257D+01 -0.129537D+02  0.968219D+01 -0.116988D+02 -0.417592D+01
               106           107           108           109           110 
      1  -0.204491D+02 -0.808203D+01  0.365766D+02 -0.955129D+02 -0.189938D+02
      2   0.104641D+02 -0.113842D+02 -0.167543D+02  0.353857D+02  0.281624D+00
      3   0.998502D+01  0.194663D+02 -0.198223D+02  0.601273D+02  0.187122D+02
      4  -0.687247D+01  0.174799D+02  0.165391D+02 -0.362862D+02 -0.271911D+02
      5   0.123298D+02  0.203972D+02 -0.131893D+02  0.176211D+02  0.778311D+01
      6  -0.629531D+01 -0.984145D+01  0.156573D+02  0.184508D+01  0.289468D+01
               111           112           113           114           115 
      1   0.109737D+02 -0.214496D+02 -0.103804D+02  0.477238D+01 -0.565992D+02
      2  -0.209421D+01  0.474860D+01  0.574941D+01 -0.758042D+00  0.420480D+02
      3  -0.887945D+01  0.167010D+02  0.463097D+01 -0.401434D+01  0.145512D+02
      4   0.588869D+01  0.719164D+01 -0.134335D+02  0.297131D+01 -0.904125D+01
      5  -0.768549D+01  0.548318D+01  0.387027D+01 -0.158920D+01  0.446209D+02
      6  -0.276711D+01  0.490829D+01  0.407701D+00  0.372096D+01  0.129215D+02
               116           117           118           119           120 
      1  -0.580125D+01  0.331906D+02  0.123296D+02  0.826430D+01  0.602044D+01
      2   0.606741D+01 -0.118171D+02 -0.958126D+01 -0.608829D+01 -0.535698D+01
      3  -0.266166D+00 -0.213735D+02 -0.274831D+01 -0.217601D+01 -0.663458D+00
      4  -0.867939D+00  0.913868D+01  0.150472D+02  0.125197D+02  0.515898D+01
      5   0.884759D+01 -0.431597D+01  0.154597D+02  0.599504D+01  0.166606D+02
      6  -0.951998D+00  0.903199D+00  0.581500D+01  0.291532D+01  0.324225D+01
               121           122           123           124           125 
      1   0.175182D+02  0.802907D+00 -0.184357D+00  0.758561D+01 -0.111373D+01
      2  -0.116429D+02 -0.463788D+00 -0.268603D+01 -0.832311D+01 -0.371731D+01
      3  -0.587533D+01 -0.339119D+00  0.287039D+01  0.737495D+00  0.483104D+01
      4   0.169534D+02  0.192496D+02  0.164614D+02  0.711296D+01  0.166737D+02
      5   0.129171D+02  0.166437D+02  0.155307D+02  0.240412D+02  0.142923D+02
      6   0.521922D+01  0.975262D+01  0.102240D+02  0.607338D+01  0.869144D+01
               126           127           128           129           130 
      1  -0.292494D+00 -0.512832D+01 -0.105478D+02  0.206474D+02 -0.945770D+00
      2  -0.103514D+02  0.826088D-01  0.606487D+01 -0.475363D+01 -0.279104D-01
      3   0.106439D+02  0.504572D+01  0.448291D+01 -0.158938D+02  0.973681D+00
      4   0.144695D+02  0.259073D+00 -0.641044D+01  0.305064D+01  0.137990D+01
      5   0.293526D+02  0.462931D+01  0.502675D+01 -0.101569D+02 -0.916314D+00
      6   0.997815D+01 -0.344958D+01 -0.658913D+01  0.107627D+02 -0.131311D+01
               131           132           133           134           135 
      1  -0.120557D+02  0.113238D+02  0.118534D+02  0.143380D+02 -0.373811D+02
      2   0.747862D+01 -0.422365D+01 -0.499524D+01 -0.372049D+01 -0.795845D+00
      3   0.457713D+01 -0.710018D+01 -0.685816D+01 -0.106175D+02  0.381770D+02
      4  -0.775904D+01  0.607099D+01 -0.703169D+01  0.126663D+02 -0.156154D+02
      5   0.596823D+01 -0.102039D+02  0.605855D+01 -0.182953D+02  0.415324D+02
      6  -0.913403D+01  0.138015D+02 -0.142026D-01  0.166771D+02 -0.288835D+02
               136           137           138           139           140 
      1   0.278006D+01 -0.744061D+01 -0.974082D+00 -0.655718D+01 -0.131640D+02
      2   0.668524D+00  0.606291D+01  0.205898D+01  0.114214D+01  0.267296D+02
      3  -0.344858D+01  0.137771D+01 -0.108490D+01  0.541505D+01 -0.135656D+02
      4  -0.361066D+01 -0.200416D+01  0.156440D+01  0.949295D+01 -0.293504D+02
      5  -0.183254D+01  0.285026D-01 -0.339349D+01 -0.402127D+00 -0.126928D+02
      6   0.164960D+01 -0.743808D+00  0.257609D+01 -0.437107D+00  0.393470D+01
               141           142           143           144           145 
      1  -0.416432D+01 -0.591448D+01 -0.412132D+01 -0.892065D+01  0.106470D+03
      2   0.120288D+02  0.141739D+01  0.143641D+02  0.102746D+02 -0.566322D+02
      3  -0.786447D+01  0.449709D+01 -0.102428D+02 -0.135390D+01 -0.498374D+02
      4  -0.114637D+02  0.996326D+01 -0.223389D+02 -0.112920D+02 -0.463229D+02
      5  -0.129269D+02 -0.257672D+00 -0.124405D+02 -0.148766D+02  0.411348D+02
      6   0.786403D+01  0.154561D+00  0.657537D+01  0.682562D+01 -0.949403D+01
               146           147           148           149           150 
      1  -0.164023D+02  0.164712D+02 -0.390060D+01  0.730630D+01  0.279282D+00
      2   0.538135D+01 -0.114782D+02 -0.128614D+01 -0.198039D+01  0.268283D+00
      3   0.110209D+02 -0.499299D+01  0.518674D+01 -0.532591D+01 -0.547565D+00
      4   0.207797D+02 -0.918880D+01  0.129765D+02 -0.495222D+01  0.346214D-01
      5  -0.849361D+01  0.197945D+02  0.713224D-01  0.148029D+01 -0.448983D+00
      6   0.475565D+01 -0.511676D+01  0.304137D+01 -0.278528D+00  0.209469D+01
               151           152           153           154           155 
      1   0.115881D+02 -0.647756D+00  0.692476D+01  0.198147D+03  0.341347D+02
      2  -0.920797D+01  0.210027D+01 -0.608931D+01 -0.904484D+02 -0.967214D+01
      3  -0.238015D+01 -0.145252D+01 -0.835455D+00 -0.107699D+03 -0.244626D+02
      4  -0.408105D+01  0.321950D+00 -0.577184D+01  0.551093D+02  0.482012D+02
      5   0.182387D+02 -0.493414D+01  0.104401D+02 -0.373707D+02 -0.101178D+02
      6  -0.386310D+01  0.296797D+01 -0.329148D+01 -0.141687D+01 -0.437608D+01
               156           157           158           159           160 
      1  -0.110291D+02  0.309151D+02  0.356700D+02 -0.583869D+00 -0.919488D+01
      2   0.100805D+02 -0.576031D+01 -0.868557D+01  0.602987D+00  0.920854D+01
      3   0.948641D+00 -0.251548D+02 -0.269844D+02 -0.191187D-01 -0.136584D-01
      4  -0.757481D+01  0.561488D+02  0.387369D+02 -0.530062D+01 -0.601469D+01
      5   0.396369D+02 -0.621913D+01 -0.903601D+01  0.892928D+01  0.375088D+02
      6   0.353062D+01 -0.930281D+01 -0.494832D+01  0.593220D+01  0.452719D+01
               161           162           163           164           165 
      1  -0.139444D+01  0.211243D+02  0.700471D+02  0.120951D+02 -0.210435D+02
      2   0.145985D+01 -0.138544D+02 -0.461913D+02 -0.531353D+01  0.133621D+02
      3  -0.654051D-01 -0.726991D+01 -0.238557D+02 -0.678159D+01  0.768139D+01
      4  -0.234024D+01  0.880562D+01  0.202418D+02  0.839554D+01 -0.160360D+01
      5   0.898923D+01 -0.956042D+01 -0.409727D+02 -0.189759D+01  0.210847D+02
      6   0.515086D+01 -0.233591D+01 -0.696542D+01 -0.116680D+01  0.101044D+01
               166           167           168           169           170 
      1   0.195319D+02 -0.853168D+01  0.891581D+00  0.123277D+02  0.497163D+01
      2  -0.113935D+02  0.208023D+01 -0.887878D+00 -0.357092D+01 -0.283510D+01
      3  -0.813841D+01  0.645146D+01 -0.370287D-02 -0.875679D+01 -0.213653D+01
      4   0.626877D+01 -0.113983D+01 -0.982396D+01  0.448281D+01 -0.408507D+01
      5  -0.773311D+01 -0.940974D+01  0.131559D+01  0.931990D+01  0.387504D-02
      6  -0.342679D+01 -0.219361D+01  0.115985D+02 -0.223106D+01  0.973451D+01
               171           172           173           174           175 
      1  -0.359522D+02 -0.578864D+02 -0.541887D+01 -0.236748D+01 -0.144106D+02
      2  -0.102010D+02  0.359472D+02  0.317072D+01 -0.836506D+01  0.103729D+02
      3   0.461532D+02  0.219393D+02  0.224814D+01  0.107325D+02  0.403764D+01
      4  -0.228058D+01 -0.129603D+02 -0.495469D+01  0.123045D+01 -0.193936D+01
      5  -0.391377D+02  0.298874D+02  0.179823D+01 -0.194240D+02  0.714199D+01
      6  -0.238479D+01  0.533453D+01  0.334630D+01 -0.152625D+01  0.172670D+01
               176           177           178           179           180 
      1  -0.493687D+01 -0.475583D-01  0.177052D+02  0.236048D+01 -0.112149D+02
      2   0.281031D+01 -0.284898D+01 -0.164749D+02 -0.202234D+01  0.620384D+01
      3   0.212655D+01  0.289654D+01 -0.123023D+01 -0.338143D+00  0.501104D+01
      4  -0.899799D+00 -0.248082D+01  0.663237D+01  0.108152D+01 -0.214646D+01
      5  -0.204922D+01 -0.553069D+01 -0.160168D+02 -0.116109D+01  0.528614D+01
      6   0.132214D+01  0.254888D+01 -0.230031D+01  0.604754D+00  0.164845D+01
               181           182           183           184           185 
      1   0.347003D+02 -0.511066D+02 -0.660411D+01  0.419384D+02  0.158954D+02
      2  -0.165681D+02  0.417730D+02  0.144180D+01 -0.303618D+02 -0.178728D+02
      3  -0.181322D+02  0.933359D+01  0.516231D+01 -0.115766D+02  0.197738D+01
      4  -0.230243D+01  0.391139D+02 -0.189536D+01  0.592045D+01 -0.266424D+02
      5  -0.784953D+01 -0.397024D+01  0.132077D+02 -0.396582D+01 -0.120387D+02
      6  -0.760976D+01 -0.109777D+01  0.123295D+02 -0.771588D+01 -0.943766D+01
               186           187           188           189           190 
      1   0.406693D+01  0.560603D+01 -0.785024D+01  0.325603D+00  0.103442D+03
      2  -0.550016D+01 -0.137888D+02 -0.129896D+01 -0.814620D+01 -0.560268D+02
      3   0.143323D+01  0.818277D+01  0.914920D+01  0.782060D+01 -0.474153D+02
      4  -0.103853D+02 -0.116304D+02 -0.101851D+02  0.216765D+02  0.250639D+01
      5   0.753619D+01  0.320359D+02  0.188229D+02  0.129017D+02 -0.356354D+01
      6   0.196430D+01  0.216972D+02  0.145974D+02  0.694291D+01 -0.277517D+01
               191           192           193           194           195 
      1   0.863586D+01  0.699332D+01  0.626853D+02 -0.373374D+02 -0.496888D+01
      2   0.468245D+01 -0.751121D+00 -0.256769D+02  0.395813D+02  0.109633D+02
      3  -0.133183D+02 -0.624220D+01 -0.370084D+02 -0.224386D+01 -0.599439D+01
      4   0.180638D+02  0.160303D+01 -0.441866D+02  0.542210D+02  0.386555D+01
      5   0.247844D+01  0.868434D+01 -0.115903D+02  0.870731D+01  0.333809D+01
      6   0.258772D+00  0.317778D+01 -0.323159D+01  0.837103D+01 -0.646049D+01
               196           197           198           199           200 
      1   0.110596D+02 -0.110653D+02  0.227785D+02 -0.109541D+03  0.160128D+02
      2  -0.642236D+01  0.100116D+02 -0.198009D+02  0.455792D+02 -0.162083D+02
      3  -0.463724D+01  0.105364D+01 -0.297756D+01  0.639617D+02  0.195476D+00
      4  -0.172013D+02  0.964819D+01  0.217806D+01  0.251746D+02 -0.253965D+02
      5   0.497976D+02  0.845100D+01  0.842725D+01 -0.745675D+01 -0.260549D+01
      6   0.121961D+01  0.688217D+01 -0.344150D+01  0.194483D+01 -0.350131D+01
               201           202           203           204           205 
      1  -0.659008D+01 -0.936962D+02  0.129348D+02 -0.228870D+01 -0.291379D+02
      2   0.232492D+01  0.575134D+02 -0.206709D+02 -0.157754D+01  0.176692D+02
      3   0.426517D+01  0.361828D+02  0.773605D+01  0.386623D+01  0.114687D+02
      4  -0.341582D+00  0.256327D+02 -0.203267D+02  0.429038D+01  0.952251D+01
      5   0.623235D+01 -0.139906D+01  0.224969D+01 -0.134988D+02  0.490795D+01
      6  -0.966008D+00  0.653372D+01 -0.780816D+01  0.862742D+01 -0.196977D+01
               206           207           208           209           210 
      1   0.103720D+02 -0.133868D+02  0.366753D+02  0.746275D+01  0.229182D+01
      2  -0.973868D+01 -0.413388D+01 -0.216693D+02 -0.611168D+01 -0.347984D+01
      3  -0.633338D+00  0.175207D+02 -0.150060D+02 -0.135107D+01  0.118802D+01
      4  -0.395471D+00 -0.170373D+02  0.158812D+02  0.713819D+01 -0.771486D+00
      5  -0.214207D+02 -0.119609D+02  0.997867D+01 -0.142712D+01  0.192409D+02
      6   0.782109D+01 -0.114025D+01  0.789024D+00  0.212210D+01 -0.327515D+01
               211           212           213           214           215 
      1   0.883725D+01  0.534179D+01  0.469753D+01  0.302764D+01  0.484884D-01
      2  -0.473471D+01 -0.202070D+01 -0.559072D+01 -0.390023D+01 -0.212506D+01
      3  -0.410253D+01 -0.332108D+01  0.893189D+00  0.872597D+00  0.207657D+01
      4   0.345652D+02  0.163631D+02  0.676106D+01  0.514320D+01  0.121328D+01
      5   0.721257D+01  0.471949D+01 -0.160940D+02  0.124074D+02  0.523722D+01
      6   0.768876D+00 -0.188060D+01  0.120100D+02  0.167974D+01  0.368689D+01
               216           217           218           219           220 
      1   0.470819D+01 -0.841569D+02 -0.923806D+01 -0.174984D+02 -0.182809D+02
      2  -0.317924D+01  0.487897D+02  0.166996D+01  0.107529D+02  0.642282D+01
      3  -0.152896D+01  0.353672D+02  0.756810D+01  0.674547D+01  0.118580D+02
      4   0.676597D+01 -0.166549D+02  0.278156D+02 -0.448365D+01 -0.730731D+01
      5   0.341898D+01 -0.171157D+02 -0.467270D+01  0.110180D+02 -0.931726D+01
      6   0.334651D+01  0.521684D+00  0.354970D+01 -0.454462D+01 -0.401236D+00
               221           222           223           224           225 
      1   0.177358D+02 -0.162865D+02 -0.128282D+02 -0.108333D+02  0.108734D+02
      2  -0.102766D+02  0.126921D+02  0.372720D+01  0.942620D+01 -0.952870D+01
      3  -0.745918D+01  0.359446D+01  0.910100D+01  0.140711D+01 -0.134474D+01
      4   0.498897D+01 -0.169385D+02 -0.807081D+01 -0.955720D+01  0.407991D+02
      5  -0.165638D+02  0.652189D+02 -0.200757D+02  0.411758D+02  0.314254D+02
      6   0.827673D+01 -0.238948D+02  0.121392D+02 -0.168015D+02 -0.595227D+01
               226           227           228           229           230 
      1  -0.718362D+01  0.173650D+02  0.154159D+01  0.803449D+01 -0.534434D+02
      2   0.873593D+01 -0.195938D+02 -0.160931D+01 -0.882865D+01  0.673709D+02
      3  -0.155231D+01  0.222889D+01  0.677212D-01  0.794161D+00 -0.139275D+02
      4  -0.203236D+01  0.522142D+01  0.743298D+00  0.242953D+01  0.127572D+02
      5  -0.811383D+00  0.134832D+01  0.138090D+01  0.263446D+00 -0.699173D+00
      6   0.784762D+00 -0.129675D+01 -0.223536D+01 -0.147770D+01  0.830566D+01
               231           232           233           234           235 
      1  -0.772280D+01  0.824661D-01 -0.699453D+01 -0.148696D+01  0.261136D+02
      2   0.764178D+01 -0.695471D+00  0.839873D+01  0.227957D+01 -0.316903D+01
      3   0.810145D-01  0.613005D+00 -0.140420D+01 -0.792612D+00 -0.229446D+02
      4   0.152027D+01 -0.145566D+00  0.276950D+01 -0.702327D+00  0.457132D+02
      5   0.110469D+01  0.230278D+01 -0.469175D+00  0.304533D+00  0.109465D+02
      6   0.797900D+01  0.370261D+00  0.397723D+01  0.168633D+01  0.672832D+01
               236           237           238           239           240 
      1   0.144378D+02  0.455808D+01  0.115481D+02  0.254307D+01  0.902392D+00
      2   0.350318D+01 -0.930381D+00  0.102614D+02  0.216170D+02  0.291590D+01
      3  -0.179410D+02 -0.362770D+01 -0.218095D+02 -0.241601D+02 -0.381829D+01
      4   0.397751D+02  0.103673D+02  0.469707D+02  0.572002D+02  0.129980D+02
      5   0.802578D+01  0.784917D+01  0.998949D+01  0.999730D+01  0.822266D+01
      6   0.577812D+01  0.469994D+01  0.833187D+01  0.101209D+02  0.771757D+01
               241           242           243           244           245 
      1   0.562394D+01  0.211713D+01 -0.483663D+00  0.130316D+02 -0.109441D+02
      2   0.161085D+01  0.326948D+01  0.201225D+01 -0.410875D+01  0.321642D+01
      3  -0.723479D+01 -0.538661D+01 -0.152859D+01 -0.892284D+01  0.772768D+01
      4   0.140639D+02  0.139981D+02  0.611005D+01 -0.185264D+02  0.150240D+02
      5   0.184564D+01  0.434542D+01  0.315207D+01 -0.198765D+01  0.121317D+01
      6   0.696559D+00  0.437135D+01  0.269407D+01  0.370647D+00  0.273167D-01
               246           247           248           249           250 
      1  -0.509317D+00 -0.117361D+02 -0.311915D+01 -0.107824D+01 -0.529601D+00
      2   0.984067D-01 -0.913846D+00  0.158329D+02  0.885439D+00 -0.328154D+00
      3   0.410911D+00  0.126499D+02 -0.127137D+02  0.192804D+00  0.857755D+00
      4   0.599478D+00  0.264266D+02 -0.387905D+02 -0.416429D+01  0.256788D+01
      5   0.136467D+01  0.363453D+01 -0.669215D+01 -0.437377D+01  0.673210D+00
      6  -0.499464D+00 -0.162212D+01  0.329855D+01  0.419343D+01 -0.184387D+01
               251           252           253           254           255 
      1  -0.185819D+01 -0.179746D+01  0.209173D+03 -0.387223D+01  0.183513D+02
      2   0.245426D+01  0.228772D+01 -0.109831D+03  0.658814D-01 -0.106810D+02
      3  -0.596076D+00 -0.490260D+00 -0.993427D+02  0.380635D+01 -0.767027D+01
      4  -0.541354D+01 -0.741278D+00 -0.215202D+02  0.150889D+02 -0.196935D+01
      5  -0.642566D-01 -0.435889D+00  0.208052D+02 -0.520455D+00  0.188110D+02
      6   0.168977D+01  0.121890D+01 -0.340193D+01  0.687461D+00 -0.236818D+01
               256           257           258           259           260 
      1   0.232046D+02  0.149429D+02  0.271658D+01  0.233758D+02  0.437199D+00
      2  -0.146105D+02 -0.741033D+01 -0.209891D+01 -0.138217D+02 -0.909834D+00
      3  -0.859412D+01 -0.753252D+01 -0.617663D+00 -0.955406D+01  0.472635D+00
      4   0.169710D+02  0.347371D+01  0.324599D+01 -0.275692D+01  0.367606D+01
      5   0.180231D+01  0.344207D+01  0.702472D+00  0.250982D+02 -0.356197D+01
      6   0.540420D+00 -0.489856D+00  0.161896D+01 -0.267085D+01  0.258993D+01
               261           262           263           264           265 
      1   0.168812D+02  0.734574D+01 -0.214937D+01 -0.893709D+01 -0.583136D+01
      2  -0.998733D+01 -0.411039D+01  0.161400D+01  0.346700D+01  0.100106D+01
      3  -0.689389D+01 -0.323535D+01  0.535377D+00  0.547009D+01  0.483031D+01
      4  -0.463939D+01  0.439986D+00 -0.136360D+01  0.394177D+01  0.192455D+02
      5   0.526146D+01 -0.853837D+01  0.282894D+01 -0.280254D+01  0.141115D+02
      6  -0.493962D+00  0.241465D+01 -0.649480D+00  0.228739D+01 -0.512596D+01
               266           267           268           269           270 
      1   0.248067D+01  0.388759D+01 -0.360850D+02  0.977545D+01  0.426390D+01
      2   0.241499D+01  0.671799D+00  0.209907D+02 -0.350935D+01 -0.840036D+01
      3  -0.489566D+01 -0.455939D+01  0.150943D+02 -0.626610D+01  0.413645D+01
      4  -0.198676D+02 -0.163097D+02  0.278394D+02 -0.216757D+02 -0.264845D+02
      5  -0.165304D+02 -0.248986D+02  0.385752D+02 -0.267617D+02 -0.659859D+02
      6   0.663558D+01  0.112581D+02 -0.118935D+02  0.114638D+02  0.178520D+02
               271           272           273           274           275 
      1  -0.509712D+01 -0.496178D+01  0.117332D+02 -0.104559D+02 -0.560964D+01
      2   0.232046D+01  0.444537D+01 -0.590429D+01  0.187992D+01  0.134941D+02
      3   0.277666D+01  0.516419D+00 -0.582893D+01  0.857600D+01 -0.788442D+01
      4   0.452434D+01 -0.745465D+01  0.382692D+01  0.254068D+02 -0.413672D+02
      5   0.529185D+01  0.455815D+01 -0.102054D+02 -0.117488D+02  0.261139D+02
      6  -0.838985D+00 -0.378199D+01  0.571591D+01  0.722788D+01 -0.154222D+02
               276           277           278           279 
      1   0.688076D+01  0.223128D+02  0.245977D+01 -0.819270D+01
      2  -0.826366D+01 -0.989306D+01 -0.452944D+01  0.186508D+01
      3   0.138290D+01 -0.124197D+02  0.206967D+01  0.632762D+01
      4   0.275315D+02 -0.192500D+02  0.271681D+02 -0.284206D+02
      5  -0.294573D+02  0.207750D+02 -0.279957D+02  0.345557D+02
      6   0.149996D+02 -0.961771D+01  0.150018D+02 -0.159968D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.205056D+03      0.303861D+02      0.338091D+02
   aniso      0.173678D+03      0.257364D+02      0.286356D+02
   xx         0.313583D+03      0.464682D+02      0.517028D+02
   yx         0.904327D+01      0.134007D+01      0.149103D+01
   yy         0.179074D+03      0.265360D+02      0.295253D+02
   zx         0.161394D+02      0.239161D+01      0.266102D+01
   zy         0.888623D+01      0.131680D+01      0.146514D+01
   zz         0.122510D+03      0.181542D+02      0.201992D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.205056D+03      0.303861D+02      0.338091D+02
   aniso      0.173678D+03      0.257364D+02      0.286356D+02
   xx         0.153907D+03      0.228066D+02      0.253758D+02
   yx        -0.642265D+01     -0.951738D+00     -0.105895D+01
   yy         0.179312D+03      0.265713D+02      0.295646D+02
   zx         0.735550D+02      0.108997D+02      0.121276D+02
   zy        -0.271200D+01     -0.401877D+00     -0.447149D+00
   zz         0.281949D+03      0.417805D+02      0.464870D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-06\Freq\RB3LYP\Gen\C14H14O3\PIERPA\17-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
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 We're simply so accustomed to the marvels of everyday thought
 that we never wonder about it.
 -- Marvin Minsky in "Why people think computers are smart"
 Job cpu time:       1 days  0 hours 28 minutes 35.3 seconds.
 Elapsed time:       0 days  3 hours  3 minutes 43.3 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 21:16:44 2021.
